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

C16H19BrN2 — CID 104810370

IUPAC2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C16H19BrN2/c1-12-3-2-4-13(7-12)8-14(10-18)9-16-6-5-15(17)11-19-16/h2-7,11,14H,8-10,18H2,1H3
InChIKeyMAUAWSVJKWVSSA-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.51
Rot. Bonds5

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

2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine (PubChem CID 104810370) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine
PubChem CID104810370
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C16H19BrN2/c1-12-3-2-4-13(7-12)8-14(10-18)9-16-6-5-15(17)11-19-16/h2-7,11,14H,8-10,18H2,1H3
InChIKeyMAUAWSVJKWVSSA-UHFFFAOYSA-N
XLogP3.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 104810501
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 104810378
[1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105334652
2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
CID 104813182
5-bromo-2-[(3-methylphenyl)methylsulfanylmethyl]pyridine
CID 104809988
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773193
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine
CID 113455848
2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine
CID 104810377
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine (CID 104810370) is 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CC(CN)Cc2ccc(Br)cn2)c1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The InChIKey is MAUAWSVJKWVSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12-3-2-4-13(7-12)8-14(10-18)9-16-6-5-15(17)11-19-16/h2-7,11,14H,8-10,18H2,1H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine?
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine has a molecular weight of 319.25 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 104810370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).