(1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine

C16H18N2 — CID 70866942

IUPAC(1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCc1ccnc(CN[C@H]2CC2c2ccccc2)c1
InChIInChI=1S/C16H18N2/c1-12-7-8-17-14(9-12)11-18-16-10-15(16)13-5-3-2-4-6-13/h2-9,15-16,18H,10-11H2,1H3/t15?,16-/m0/s1
InChIKeySNEHETQOYNPNME-LYKKTTPLSA-N
MW238.33 g/mol
LogP3.04
Rot. Bonds4

About (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 70866942) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID70866942
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCc1ccnc(CN[C@H]2CC2c2ccccc2)c1
InChIInChI=1S/C16H18N2/c1-12-7-8-17-14(9-12)11-18-16-10-15(16)13-5-3-2-4-6-13/h2-9,15-16,18H,10-11H2,1H3/t15?,16-/m0/s1
InChIKeySNEHETQOYNPNME-LYKKTTPLSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (CID 70866942) is (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is Cc1ccnc(CN[C@H]2CC2c2ccccc2)c1.
What is the InChIKey of (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is SNEHETQOYNPNME-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-7-8-17-14(9-12)11-18-16-10-15(16)13-5-3-2-4-6-13/h2-9,15-16,18H,10-11H2,1H3/t15?,16-/m0/s1.
What are the key properties of (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 70866942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).