(1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine

C24H25NO2 — CID 58035556

IUPAC(1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccccc1CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO2/c1-26-24-10-6-5-9-20(24)16-25-23-15-22(23)19-11-13-21(14-12-19)27-17-18-7-3-2-4-8-18/h2-14,22-23,25H,15-17H2,1H3/t22?,23-/m0/s1
InChIKeyPPCBJIQRKKFFJQ-WCSIJFPASA-N
MW359.47 g/mol
LogP4.92
Rot. Bonds8

About (1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine

(1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine (PubChem CID 58035556) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
PubChem CID58035556
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccccc1CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO2/c1-26-24-10-6-5-9-20(24)16-25-23-15-22(23)19-11-13-21(14-12-19)27-17-18-7-3-2-4-8-18/h2-14,22-23,25H,15-17H2,1H3/t22?,23-/m0/s1
InChIKeyPPCBJIQRKKFFJQ-WCSIJFPASA-N
XLogP4.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of (1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine (CID 58035556) is (1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine is COc1ccccc1CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The InChIKey is PPCBJIQRKKFFJQ-WCSIJFPASA-N. The full InChI is InChI=1S/C24H25NO2/c1-26-24-10-6-5-9-20(24)16-25-23-15-22(23)19-11-13-21(14-12-19)27-17-18-7-3-2-4-8-18/h2-14,22-23,25H,15-17H2,1H3/t22?,23-/m0/s1.
What are the key properties of (1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
(1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine has a molecular weight of 359.47 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 58035556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).