1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine

C12H17NO — CID 94558345

IUPAC1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C12H17NO/c1-13-8-10-7-12(10)9-4-3-5-11(6-9)14-2/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12+/m0/s1
InChIKeyQKLHEZFAYYRVSO-CMPLNLGQSA-N
MW191.27 g/mol
LogP2.02
Rot. Bonds4

About 1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine

1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 94558345) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
PubChem CID94558345
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C12H17NO/c1-13-8-10-7-12(10)9-4-3-5-11(6-9)14-2/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12+/m0/s1
InChIKeyQKLHEZFAYYRVSO-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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Related Compounds

1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
CID 62704932
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558393
2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 139707086
1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558337
1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558340
1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol
CID 82228517
1-[2-[3-(4-fluorophenyl)phenyl]cyclopropyl]-N-methylmethanamine
CID 71207055
1-[(1S,8S,9R,11S)-11-(4-methoxyphenyl)-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]-N-methylmethanamine
CID 177417495

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine (CID 94558345) is 1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine is CNC[C@@H]1C[C@@H]1c1cccc(OC)c1.
What is the InChIKey of 1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is QKLHEZFAYYRVSO-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-8-10-7-12(10)9-4-3-5-11(6-9)14-2/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine?
1-[(1R,2S)-2-(3-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-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 94558345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).