6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine

C30H28Br2F6N4O2 — CID 167690678

IUPAC6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(Br)n2)cc1.Cc1cc(N)nc(Br)c1C(F)(F)F
InChIInChI=1S/C23H22BrF3N2O2.C7H6BrF3N2/c1-15-12-20(28-22(24)21(15)23(25,26)27)29(13-16-4-8-18(30-2)9-5-16)14-17-6-10-19(31-3)11-7-17;1-3-2-4(12)13-6(8)5(3)7(9,10)11/h4-12H,13-14H2,1-3H3;2H,1H3,(H2,12,13)
InChIKeyWWXVMTIDVJPCRA-UHFFFAOYSA-N
MW750.38 g/mol
LogP9.15
Rot. Bonds7

About 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine

6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 167690678) has the molecular formula C30H28Br2F6N4O2 and a molecular weight of 750.38 g/mol. Its IUPAC name is 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID167690678
Molecular FormulaC30H28Br2F6N4O2
Molecular Weight750.38 g/mol
Exact Mass748.05
IUPAC Name6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(Br)n2)cc1.Cc1cc(N)nc(Br)c1C(F)(F)F
InChIInChI=1S/C23H22BrF3N2O2.C7H6BrF3N2/c1-15-12-20(28-22(24)21(15)23(25,26)27)29(13-16-4-8-18(30-2)9-5-16)14-17-6-10-19(31-3)11-7-17;1-3-2-4(12)13-6(8)5(3)7(9,10)11/h4-12H,13-14H2,1-3H3;2H,1H3,(H2,12,13)
InChIKeyWWXVMTIDVJPCRA-UHFFFAOYSA-N
XLogP9.15
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.38
LogP ≤ 59.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

6-Bromo-N,N-bis(4-methoxybenzyl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 146389326
5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 13008984
1-(5-Bromo-6-methoxy-2-pyridinyl)-4-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine
CID 23542049
(5-Bromo-6-fluoro-pyridin-2-yl)-(4-methoxy-benzyl)-amine
CID 57963064
(4-Bromomethyl-6-fluoro-pyridin-2-yl)-(4-methoxy-benzyl)-amine
CID 66705620
N,N-Bis-(4-methoxybenzyl)-(6-ethoxy-5-trifluoromethylpyridine-2-yl)amine
CID 67190754
1-(5-Bromo-6-methoxy-2-pyridinyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 67550568
1-(6-Bromo-2-pyridinyl)-1-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 91059644
3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine
CID 118034861
N'-[5-bromo-6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-methylpyridin-3-yl]-N-ethyl-N-methylmethanimidamide
CID 118034869
5-bromo-3,6-difluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 142393404
6-chloro-N,N-bis(4-methoxybenzyl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 146389859

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 167690678) is 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(Br)n2)cc1.Cc1cc(N)nc(Br)c1C(F)(F)F.
What is the InChIKey of 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WWXVMTIDVJPCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrF3N2O2.C7H6BrF3N2/c1-15-12-20(28-22(24)21(15)23(25,26)27)29(13-16-4-8-18(30-2)9-5-16)14-17-6-10-19(31-3)11-7-17;1-3-2-4(12)13-6(8)5(3)7(9,10)11/h4-12H,13-14H2,1-3H3;2H,1H3,(H2,12,13).
What are the key properties of 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 750.38 g/mol, XLogP of 9.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 167690678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).