3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine

C16H20BrN3 — CID 64584277

IUPAC3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine
SMILESCCCCN(c1ccccc1)c1ncc(Br)cc1CN
InChIInChI=1S/C16H20BrN3/c1-2-3-9-20(15-7-5-4-6-8-15)16-13(11-18)10-14(17)12-19-16/h4-8,10,12H,2-3,9,11,18H2,1H3
InChIKeyQBRVTSICMRJURS-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.24
Rot. Bonds6

About 3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine

3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine (PubChem CID 64584277) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine
PubChem CID64584277
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine
SMILESCCCCN(c1ccccc1)c1ncc(Br)cc1CN
InChIInChI=1S/C16H20BrN3/c1-2-3-9-20(15-7-5-4-6-8-15)16-13(11-18)10-14(17)12-19-16/h4-8,10,12H,2-3,9,11,18H2,1H3
InChIKeyQBRVTSICMRJURS-UHFFFAOYSA-N
XLogP4.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine (CID 64584277) is 3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine is CCCCN(c1ccccc1)c1ncc(Br)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine?
The InChIKey is QBRVTSICMRJURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-2-3-9-20(15-7-5-4-6-8-15)16-13(11-18)10-14(17)12-19-16/h4-8,10,12H,2-3,9,11,18H2,1H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine?
3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 64584277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).