(1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine

C15H15ClN2 — CID 87501999

IUPAC(1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESClc1ccc(CN[C@H]2CC2c2ccccc2)cn1
InChIInChI=1S/C15H15ClN2/c16-15-7-6-11(10-18-15)9-17-14-8-13(14)12-4-2-1-3-5-12/h1-7,10,13-14,17H,8-9H2/t13?,14-/m0/s1
InChIKeyBNSQZIDIRZNRJU-KZUDCZAMSA-N
MW258.75 g/mol
LogP3.38
Rot. Bonds4

About (1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 87501999) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID87501999
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name(1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESClc1ccc(CN[C@H]2CC2c2ccccc2)cn1
InChIInChI=1S/C15H15ClN2/c16-15-7-6-11(10-18-15)9-17-14-8-13(14)12-4-2-1-3-5-12/h1-7,10,13-14,17H,8-9H2/t13?,14-/m0/s1
InChIKeyBNSQZIDIRZNRJU-KZUDCZAMSA-N
XLogP3.38
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 ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (CID 87501999) is (1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is Clc1ccc(CN[C@H]2CC2c2ccccc2)cn1.
What is the InChIKey of (1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is BNSQZIDIRZNRJU-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-15-7-6-11(10-18-15)9-17-14-8-13(14)12-4-2-1-3-5-12/h1-7,10,13-14,17H,8-9H2/t13?,14-/m0/s1.
What are the key properties of (1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 258.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(6-chloro-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 87501999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).