1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine

C12H17NO — CID 94558393

IUPAC1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C12H17NO/c1-13-8-10-7-12(10)9-3-5-11(14-2)6-4-9/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12+/m0/s1
InChIKeyNRJRHIFPCSORHT-CMPLNLGQSA-N
MW191.27 g/mol
LogP2.02
Rot. Bonds4

About 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine

1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 94558393) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
PubChem CID94558393
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C12H17NO/c1-13-8-10-7-12(10)9-3-5-11(14-2)6-4-9/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12+/m0/s1
InChIKeyNRJRHIFPCSORHT-CMPLNLGQSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine (CID 94558393) is 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine is CNC[C@@H]1C[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is NRJRHIFPCSORHT-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-8-10-7-12(10)9-3-5-11(14-2)6-4-9/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine?
1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 94558393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).