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

C16H18N2 — CID 70867034

IUPAC(1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCc1cccc(CN[C@H]2CC2c2ccccc2)n1
InChIInChI=1S/C16H18N2/c1-12-6-5-9-14(18-12)11-17-16-10-15(16)13-7-3-2-4-8-13/h2-9,15-17H,10-11H2,1H3/t15?,16-/m0/s1
InChIKeyWHSQZMPFIRMYBX-LYKKTTPLSA-N
MW238.33 g/mol
LogP3.04
Rot. Bonds4

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

(1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 70867034) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID70867034
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCc1cccc(CN[C@H]2CC2c2ccccc2)n1
InChIInChI=1S/C16H18N2/c1-12-6-5-9-14(18-12)11-17-16-10-15(16)13-7-3-2-4-8-13/h2-9,15-17H,10-11H2,1H3/t15?,16-/m0/s1
InChIKeyWHSQZMPFIRMYBX-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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (CID 70867034) is (1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is Cc1cccc(CN[C@H]2CC2c2ccccc2)n1.
What is the InChIKey of (1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is WHSQZMPFIRMYBX-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-6-5-9-14(18-12)11-17-16-10-15(16)13-7-3-2-4-8-13/h2-9,15-17H,10-11H2,1H3/t15?,16-/m0/s1.
What are the key properties of (1S)-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[(6-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-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 70867034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).