1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine

C15H17BrN2 — CID 62550846

IUPAC1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
SMILESCNC(Cc1cccnc1)Cc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-17-15(10-13-5-3-7-18-11-13)9-12-4-2-6-14(16)8-12/h2-8,11,15,17H,9-10H2,1H3
InChIKeyKUBPZHJJHDDUNQ-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.22
Rot. Bonds5

About 1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine

1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 62550846) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
PubChem CID62550846
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
SMILESCNC(Cc1cccnc1)Cc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-17-15(10-13-5-3-7-18-11-13)9-12-4-2-6-14(16)8-12/h2-8,11,15,17H,9-10H2,1H3
InChIKeyKUBPZHJJHDDUNQ-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62552074
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83176008
1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
CID 63018745
1-(3-bromophenyl)-N-methylhex-4-yn-2-amine
CID 62310795

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine (CID 62550846) is 1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine is CNC(Cc1cccnc1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is KUBPZHJJHDDUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-17-15(10-13-5-3-7-18-11-13)9-12-4-2-6-14(16)8-12/h2-8,11,15,17H,9-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 305.22 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 62550846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).