N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine

C13H12BrClN2 — CID 66159083

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine
SMILESClc1ccc(Br)c(CNCc2ccncc2)c1
InChIInChI=1S/C13H12BrClN2/c14-13-2-1-12(15)7-11(13)9-17-8-10-3-5-16-6-4-10/h1-7,17H,8-9H2
InChIKeyDBGIFTXABCHKHI-UHFFFAOYSA-N
MW311.61 g/mol
LogP3.79
Rot. Bonds4

About N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine

N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 66159083) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID66159083
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine
SMILESClc1ccc(Br)c(CNCc2ccncc2)c1
InChIInChI=1S/C13H12BrClN2/c14-13-2-1-12(15)7-11(13)9-17-8-10-3-5-16-6-4-10/h1-7,17H,8-9H2
InChIKeyDBGIFTXABCHKHI-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
N-[(2-bromo-5-chlorophenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 75422844
1-(2-bromo-5-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 66159186
N-[(2-bromo-5-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115732926
N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 66161046
N-[(4-chloro-2-nitrophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 55036935
1-(2-bromo-5-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 66158993
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 102831068
N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
CID 66161236
1-(2-bromo-5-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884449
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718771
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine (CID 66159083) is N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine is Clc1ccc(Br)c(CNCc2ccncc2)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is DBGIFTXABCHKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c14-13-2-1-12(15)7-11(13)9-17-8-10-3-5-16-6-4-10/h1-7,17H,8-9H2.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine?
N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 311.61 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 66159083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).