3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine

C16H19BrN2 — CID 106876609

IUPAC3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
SMILESCc1ccnc(N(C)CCCc2ccccc2)c1Br
InChIInChI=1S/C16H19BrN2/c1-13-10-11-18-16(15(13)17)19(2)12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11H,6,9,12H2,1-2H3
InChIKeyNUGUBEHJWLNRQH-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.22
Rot. Bonds5

About 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine

3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine (PubChem CID 106876609) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
PubChem CID106876609
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
SMILESCc1ccnc(N(C)CCCc2ccccc2)c1Br
InChIInChI=1S/C16H19BrN2/c1-13-10-11-18-16(15(13)17)19(2)12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11H,6,9,12H2,1-2H3
InChIKeyNUGUBEHJWLNRQH-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine (CID 106876609) is 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine is Cc1ccnc(N(C)CCCc2ccccc2)c1Br.
What is the InChIKey of 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine?
The InChIKey is NUGUBEHJWLNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-13-10-11-18-16(15(13)17)19(2)12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11H,6,9,12H2,1-2H3.
What are the key properties of 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine?
3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine has a molecular weight of 319.25 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine is sourced from PubChem (CID 106876609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).