4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine

C15H15ClN2 — CID 83167265

IUPAC4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine
SMILESClc1ccncc1NCc1ccccc1C1CC1
InChIInChI=1S/C15H15ClN2/c16-14-7-8-17-10-15(14)18-9-12-3-1-2-4-13(12)11-5-6-11/h1-4,7-8,10-11,18H,5-6,9H2
InChIKeyAGWBPJWCTORILC-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.22
Rot. Bonds4

About 4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine

4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine (PubChem CID 83167265) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine
PubChem CID83167265
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine
SMILESClc1ccncc1NCc1ccccc1C1CC1
InChIInChI=1S/C15H15ClN2/c16-14-7-8-17-10-15(14)18-9-12-3-1-2-4-13(12)11-5-6-11/h1-4,7-8,10-11,18H,5-6,9H2
InChIKeyAGWBPJWCTORILC-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine (CID 83167265) is 4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine is Clc1ccncc1NCc1ccccc1C1CC1.
What is the InChIKey of 4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine?
The InChIKey is AGWBPJWCTORILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-14-7-8-17-10-15(14)18-9-12-3-1-2-4-13(12)11-5-6-11/h1-4,7-8,10-11,18H,5-6,9H2.
What are the key properties of 4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine?
4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine has a molecular weight of 258.75 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 83167265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).