2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine

C16H19BrN2O — CID 104810378

IUPAC2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(CC(CN)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C16H19BrN2O/c1-20-16-4-2-3-12(9-16)7-13(10-18)8-15-6-5-14(17)11-19-15/h2-6,9,11,13H,7-8,10,18H2,1H3
InChIKeyPRUSDLUYEVMLRJ-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.21
Rot. Bonds6

About 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine

2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine (PubChem CID 104810378) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
PubChem CID104810378
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(CC(CN)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C16H19BrN2O/c1-20-16-4-2-3-12(9-16)7-13(10-18)8-15-6-5-14(17)11-19-15/h2-6,9,11,13H,7-8,10,18H2,1H3
InChIKeyPRUSDLUYEVMLRJ-UHFFFAOYSA-N
XLogP3.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 104810370
2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 55083986
2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 62503999
2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052825
2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
CID 104813182
N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine
CID 150596003
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62529202
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 104810501
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-(5-ethyl-2-pyridinyl)-3-(3-methoxyphenyl)-N-methylpropan-2-amine
CID 79732394
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine (CID 104810378) is 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine is COc1cccc(CC(CN)Cc2ccc(Br)cn2)c1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine?
The InChIKey is PRUSDLUYEVMLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-20-16-4-2-3-12(9-16)7-13(10-18)8-15-6-5-14(17)11-19-15/h2-6,9,11,13H,7-8,10,18H2,1H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine?
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine has a molecular weight of 335.25 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 104810378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).