1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine

C13H13BrN2 — CID 834417

IUPAC1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2ccncc2)cc1
InChIInChI=1S/C13H13BrN2/c14-13-3-1-11(2-4-13)9-16-10-12-5-7-15-8-6-12/h1-8,16H,9-10H2
InChIKeyXZLSDBMGZIVDIJ-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine

1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 834417) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID834417
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2ccncc2)cc1
InChIInChI=1S/C13H13BrN2/c14-13-3-1-11(2-4-13)9-16-10-12-5-7-15-8-6-12/h1-8,16H,9-10H2
InChIKeyXZLSDBMGZIVDIJ-UHFFFAOYSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine 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

1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760618
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
1-(4-bromophenyl)-2-(pyridin-4-ylmethylamino)ethanone
CID 94316942
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62760159
1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine
CID 71742357
2-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]acetic acid
CID 103236241
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108902320
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine (CID 834417) is 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine is Brc1ccc(CNCc2ccncc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is XZLSDBMGZIVDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c14-13-3-1-11(2-4-13)9-16-10-12-5-7-15-8-6-12/h1-8,16H,9-10H2.
What are the key properties of 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine?
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 277.17 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 834417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).