[(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine

C18H21NO — CID 70689811

IUPAC[(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine
SMILESCOc1ccc(-c2ccccc2C)cc1[C@H]1C[C@@H]1CN
InChIInChI=1S/C18H21NO/c1-12-5-3-4-6-15(12)13-7-8-18(20-2)17(9-13)16-10-14(16)11-19/h3-9,14,16H,10-11,19H2,1-2H3/t14-,16+/m1/s1
InChIKeyWXEBMCPVABEGHW-ZBFHGGJFSA-N
MW267.37 g/mol
LogP3.73
Rot. Bonds4

About [(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine

[(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine (PubChem CID 70689811) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine
PubChem CID70689811
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine
SMILESCOc1ccc(-c2ccccc2C)cc1[C@H]1C[C@@H]1CN
InChIInChI=1S/C18H21NO/c1-12-5-3-4-6-15(12)13-7-8-18(20-2)17(9-13)16-10-14(16)11-19/h3-9,14,16H,10-11,19H2,1-2H3/t14-,16+/m1/s1
InChIKeyWXEBMCPVABEGHW-ZBFHGGJFSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine (CID 70689811) is [(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine is COc1ccc(-c2ccccc2C)cc1[C@H]1C[C@@H]1CN.
What is the InChIKey of [(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine?
The InChIKey is WXEBMCPVABEGHW-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-5-3-4-6-15(12)13-7-8-18(20-2)17(9-13)16-10-14(16)11-19/h3-9,14,16H,10-11,19H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of [(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine?
[(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 70689811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).