N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine

C12H17N — CID 94558305

IUPACN-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
SMILESCNC[C@@H]1C[C@@H]1c1ccccc1C
InChIInChI=1S/C12H17N/c1-9-5-3-4-6-11(9)12-7-10(12)8-13-2/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12-/m0/s1
InChIKeyGWIMBWVQLUSUPC-JQWIXIFHSA-N
MW175.28 g/mol
LogP2.32
Rot. Bonds3

About N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine

N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine (PubChem CID 94558305) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
PubChem CID94558305
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
SMILESCNC[C@@H]1C[C@@H]1c1ccccc1C
InChIInChI=1S/C12H17N/c1-9-5-3-4-6-11(9)12-7-10(12)8-13-2/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12-/m0/s1
InChIKeyGWIMBWVQLUSUPC-JQWIXIFHSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558414
1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114488832
1-[(1S,8S,9R,11S)-11-(4-methoxyphenyl)-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]-N-methylmethanamine
CID 177417495
1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558377
N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide
CID 71206970
N-methyl-1-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 94558306
N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 89010387
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558271
1-[2-(2-chlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine
CID 130679836
1-[2-(5-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114860003
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine (CID 94558305) is N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine is CNC[C@@H]1C[C@@H]1c1ccccc1C.
What is the InChIKey of N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine?
The InChIKey is GWIMBWVQLUSUPC-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H17N/c1-9-5-3-4-6-11(9)12-7-10(12)8-13-2/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine?
N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine has a molecular weight of 175.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 94558305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).