(1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine

C22H22N2O — CID 58035555

IUPAC(1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine
SMILESc1ccc(COc2ccc(C3C[C@@H]3NCc3ccccn3)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-2-6-17(7-3-1)16-25-20-11-9-18(10-12-20)21-14-22(21)24-15-19-8-4-5-13-23-19/h1-13,21-22,24H,14-16H2/t21?,22-/m0/s1
InChIKeyPUKPTRPSSAXMPI-KEKNWZKVSA-N
MW330.43 g/mol
LogP4.31
Rot. Bonds7

About (1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine

(1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine (PubChem CID 58035555) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine
PubChem CID58035555
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine
SMILESc1ccc(COc2ccc(C3C[C@@H]3NCc3ccccn3)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-2-6-17(7-3-1)16-25-20-11-9-18(10-12-20)21-14-22(21)24-15-19-8-4-5-13-23-19/h1-13,21-22,24H,14-16H2/t21?,22-/m0/s1
InChIKeyPUKPTRPSSAXMPI-KEKNWZKVSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of (1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine (CID 58035555) is (1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for (1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for (1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine is c1ccc(COc2ccc(C3C[C@@H]3NCc3ccccn3)cc2)cc1.
What is the InChIKey of (1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is PUKPTRPSSAXMPI-KEKNWZKVSA-N. The full InChI is InChI=1S/C22H22N2O/c1-2-6-17(7-3-1)16-25-20-11-9-18(10-12-20)21-14-22(21)24-15-19-8-4-5-13-23-19/h1-13,21-22,24H,14-16H2/t21?,22-/m0/s1.
What are the key properties of (1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine?
(1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 330.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 58035555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).