3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine

C13H12BrClN2 — CID 65029432

IUPAC3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine
SMILESClCC(Nc1ncccc1Br)c1ccccc1
InChIInChI=1S/C13H12BrClN2/c14-11-7-4-8-16-13(11)17-12(9-15)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,16,17)
InChIKeyOCONZLFPWVIQFF-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.24
Rot. Bonds4

About 3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine

3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine (PubChem CID 65029432) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine
PubChem CID65029432
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine
SMILESClCC(Nc1ncccc1Br)c1ccccc1
InChIInChI=1S/C13H12BrClN2/c14-11-7-4-8-16-13(11)17-12(9-15)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,16,17)
InChIKeyOCONZLFPWVIQFF-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-chloro-1-phenylethyl)pyridin-4-amine
CID 104779436
3-bromo-N-butan-2-ylpyridin-2-amine
CID 61374838
N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine
CID 65029267
N-benzyl-3-bromopyridin-2-amine
CID 11708714
3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830
3-methoxy-N-(1-phenylpropyl)pyridin-2-amine
CID 112568517
3-bromo-N-(1-thiophen-3-ylethyl)pyridin-2-amine
CID 62840685
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
CID 131182775
N-(2-chloro-1-phenylethyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327620
N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 113371369
3-methyl-N-(1-phenylpentyl)pyridin-2-amine
CID 134824082

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine (CID 65029432) is 3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine is ClCC(Nc1ncccc1Br)c1ccccc1.
What is the InChIKey of 3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine?
The InChIKey is OCONZLFPWVIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c14-11-7-4-8-16-13(11)17-12(9-15)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,16,17).
What are the key properties of 3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine?
3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine has a molecular weight of 311.61 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 65029432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).