(1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine

C15H17BrN2 — CID 81364243

IUPAC(1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2ccc(Br)cn2)c1
InChIInChI=1S/C15H17BrN2/c1-11-4-3-5-13(8-11)12(2)17-10-15-7-6-14(16)9-18-15/h3-9,12,17H,10H2,1-2H3/t12-/m1/s1
InChIKeyWVKBDALFIYBVFW-GFCCVEGCSA-N
MW305.22 g/mol
LogP4.00
Rot. Bonds4

About (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine

(1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81364243) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81364243
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name(1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2ccc(Br)cn2)c1
InChIInChI=1S/C15H17BrN2/c1-11-4-3-5-13(8-11)12(2)17-10-15-7-6-14(16)9-18-15/h3-9,12,17H,10H2,1-2H3/t12-/m1/s1
InChIKeyWVKBDALFIYBVFW-GFCCVEGCSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine 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

(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332
(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375023
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81363404
(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 106885424
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine (CID 81364243) is (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@@H](C)NCc2ccc(Br)cn2)c1.
What is the InChIKey of (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is WVKBDALFIYBVFW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-4-3-5-13(8-11)12(2)17-10-15-7-6-14(16)9-18-15/h3-9,12,17H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine?
(1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 305.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81364243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).