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

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Related Compounds

3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 61373185
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
CID 62671815
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 43587097
3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one
CID 115657080
1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one
CID 133446320
N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 106878733
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
CID 106879197
5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 55251700
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106875522
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
CID 106875252
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126

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).