3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine

C15H17BrN2 — CID 61373185

IUPAC3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
SMILESCN(CCCc1ccccc1)c1ncccc1Br
InChIInChI=1S/C15H17BrN2/c1-18(15-14(16)10-5-11-17-15)12-6-9-13-7-3-2-4-8-13/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKeyRHEDPVNPHOOLGI-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.91
Rot. Bonds5

About 3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine

3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine (PubChem CID 61373185) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
PubChem CID61373185
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
SMILESCN(CCCc1ccccc1)c1ncccc1Br
InChIInChI=1S/C15H17BrN2/c1-18(15-14(16)10-5-11-17-15)12-6-9-13-7-3-2-4-8-13/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKeyRHEDPVNPHOOLGI-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 43587097
3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106876609
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
CID 62671815
3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one
CID 115657080
3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 61428057
5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 55251700
[2-[methyl(2-phenylethyl)amino]-3-pyridinyl]methanol
CID 65488591
3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79864976
1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one
CID 133446320
N-methyl-N-(4-phenylbutyl)pyridin-2-amine
CID 102464733
3-[(3-bromo-2-pyridinyl)-methylamino]propanethioamide
CID 61373156
1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine (CID 61373185) is 3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine is CN(CCCc1ccccc1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine?
The InChIKey is RHEDPVNPHOOLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-18(15-14(16)10-5-11-17-15)12-6-9-13-7-3-2-4-8-13/h2-5,7-8,10-11H,6,9,12H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine?
3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine has a molecular weight of 305.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine is sourced from PubChem (CID 61373185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).