2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide

C15H19BrN2O — CID 75531303

IUPAC2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
SMILESBr.COc1ccc(CCNCc2cccnc2)cc1
InChIInChI=1S/C15H18N2O.BrH/c1-18-15-6-4-13(5-7-15)8-10-17-12-14-3-2-9-16-11-14;/h2-7,9,11,17H,8,10,12H2,1H3;1H
InChIKeyPHRPGDDRWFNRQT-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.00
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide

2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide (PubChem CID 75531303) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
PubChem CID75531303
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
SMILESBr.COc1ccc(CCNCc2cccnc2)cc1
InChIInChI=1S/C15H18N2O.BrH/c1-18-15-6-4-13(5-7-15)8-10-17-12-14-3-2-9-16-11-14;/h2-7,9,11,17H,8,10,12H2,1H3;1H
InChIKeyPHRPGDDRWFNRQT-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 62598715
2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758750
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 82337004
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 54803190
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213608
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide (CID 75531303) is 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide is Br.COc1ccc(CCNCc2cccnc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide?
The InChIKey is PHRPGDDRWFNRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.BrH/c1-18-15-6-4-13(5-7-15)8-10-17-12-14-3-2-9-16-11-14;/h2-7,9,11,17H,8,10,12H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide?
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide has a molecular weight of 323.23 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide is sourced from PubChem (CID 75531303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).