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

C24H25BrN2O2 — CID 170704626

IUPAC6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C3CC3)c(Br)n2)cc1
InChIInChI=1S/C24H25BrN2O2/c1-28-20-9-3-17(4-10-20)15-27(16-18-5-11-21(29-2)12-6-18)23-14-13-22(19-7-8-19)24(25)26-23/h3-6,9-14,19H,7-8,15-16H2,1-2H3
InChIKeyLRYPDTMLSZUYLD-UHFFFAOYSA-N
MW453.38 g/mol
LogP5.95
Rot. Bonds8

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

6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 170704626) has the molecular formula C24H25BrN2O2 and a molecular weight of 453.38 g/mol. Its IUPAC name is 6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID170704626
Molecular FormulaC24H25BrN2O2
Molecular Weight453.38 g/mol
Exact Mass452.11
IUPAC Name6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C3CC3)c(Br)n2)cc1
InChIInChI=1S/C24H25BrN2O2/c1-28-20-9-3-17(4-10-20)15-27(16-18-5-11-21(29-2)12-6-18)23-14-13-22(19-7-8-19)24(25)26-23/h3-6,9-14,19H,7-8,15-16H2,1-2H3
InChIKeyLRYPDTMLSZUYLD-UHFFFAOYSA-N
XLogP5.95
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.38
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 164875848
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 172607469
6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170357019
N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine
CID 175821321
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
[6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol
CID 170775985
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
CID 110174431

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 170704626) is 6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C3CC3)c(Br)n2)cc1.
What is the InChIKey of 6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is LRYPDTMLSZUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O2/c1-28-20-9-3-17(4-10-20)15-27(16-18-5-11-21(29-2)12-6-18)23-14-13-22(19-7-8-19)24(25)26-23/h3-6,9-14,19H,7-8,15-16H2,1-2H3.
What are the key properties of 6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 453.38 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 170704626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).