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

C22H19BrClF3N2O2 — CID 172607469

IUPAC6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)c(C(F)(F)F)c(Br)n2)cc1
InChIInChI=1S/C22H19BrClF3N2O2/c1-30-16-7-3-14(4-8-16)12-29(13-15-5-9-17(31-2)10-6-15)19-11-18(24)20(21(23)28-19)22(25,26)27/h3-11H,12-13H2,1-2H3
InChIKeyLVAMYAGOTPYMEJ-UHFFFAOYSA-N
MW515.76 g/mol
LogP6.74
Rot. Bonds7

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

6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 172607469) has the molecular formula C22H19BrClF3N2O2 and a molecular weight of 515.76 g/mol. Its IUPAC name is 6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID172607469
Molecular FormulaC22H19BrClF3N2O2
Molecular Weight515.76 g/mol
Exact Mass514.03
IUPAC Name6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)c(C(F)(F)F)c(Br)n2)cc1
InChIInChI=1S/C22H19BrClF3N2O2/c1-30-16-7-3-14(4-8-16)12-29(13-15-5-9-17(31-2)10-6-15)19-11-18(24)20(21(23)28-19)22(25,26)27/h3-11H,12-13H2,1-2H3
InChIKeyLVAMYAGOTPYMEJ-UHFFFAOYSA-N
XLogP6.74
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.76
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 170907615
CID 170594396
CID 170594396
N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
6-bromo-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 164875848
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
3-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanenitrile
CID 172588417
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
3-bromo-2,6-difluoro-N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-4-(trifluoromethyl)aniline
CID 171756742
6-(2,4-dichloro-8-fluoropyrido[4,3-d]pyrimidin-7-yl)-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 166453927
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170704626
2-amino-4-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-5-chloro-3,6-difluorobenzamide
CID 164875811

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 172607469) is 6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)c(C(F)(F)F)c(Br)n2)cc1.
What is the InChIKey of 6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LVAMYAGOTPYMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClF3N2O2/c1-30-16-7-3-14(4-8-16)12-29(13-15-5-9-17(31-2)10-6-15)19-11-18(24)20(21(23)28-19)22(25,26)27/h3-11H,12-13H2,1-2H3.
What are the key properties of 6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 515.76 g/mol, XLogP of 6.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 172607469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).