6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine

C15H17BrN2 — CID 114051633

IUPAC6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
SMILESCC(C)C(Nc1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C15H17BrN2/c1-11(2)15(12-6-4-3-5-7-12)18-13-8-9-14(16)17-10-13/h3-11,15,18H,1-2H3
InChIKeyNHKAACBGNODEIS-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.65
Rot. Bonds4

About 6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine

6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine (PubChem CID 114051633) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
PubChem CID114051633
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
SMILESCC(C)C(Nc1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C15H17BrN2/c1-11(2)15(12-6-4-3-5-7-12)18-13-8-9-14(16)17-10-13/h3-11,15,18H,1-2H3
InChIKeyNHKAACBGNODEIS-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide
CID 110408468
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
4-[(2-methyl-1-phenylpropyl)amino]benzonitrile
CID 43433051
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine
CID 103529167
3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43757448
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine
CID 114051592
3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine
CID 115377201
2-methyl-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
CID 79042084
N-(2-methyl-1-phenylpropyl)-1H-indol-5-amine
CID 43768692
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine?
The IUPAC name of 6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine (CID 114051633) is 6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine?
The canonical SMILES for 6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine is CC(C)C(Nc1ccc(Br)nc1)c1ccccc1.
What is the InChIKey of 6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine?
The InChIKey is NHKAACBGNODEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11(2)15(12-6-4-3-5-7-12)18-13-8-9-14(16)17-10-13/h3-11,15,18H,1-2H3.
What are the key properties of 6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine?
6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine has a molecular weight of 305.22 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine is sourced from PubChem (CID 114051633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).