N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine

C12H17N — CID 89010387

IUPACN-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine
SMILESCNC[C@H]1C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C12H17N/c1-9-3-5-10(6-4-9)12-7-11(12)8-13-2/h3-6,11-13H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyVGQGBZHDCGMTKZ-VXGBXAGGSA-N
MW175.27 g/mol
LogP2.32
Rot. Bonds3

About N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine

N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine (PubChem CID 89010387) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine
PubChem CID89010387
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine
SMILESCNC[C@H]1C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C12H17N/c1-9-3-5-10(6-4-9)12-7-11(12)8-13-2/h3-6,11-13H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyVGQGBZHDCGMTKZ-VXGBXAGGSA-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 ≤ 500175.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine (CID 89010387) is N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine is CNC[C@H]1C[C@@H]1c1ccc(C)cc1.
What is the InChIKey of N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine?
The InChIKey is VGQGBZHDCGMTKZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17N/c1-9-3-5-10(6-4-9)12-7-11(12)8-13-2/h3-6,11-13H,7-8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine?
N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine has a molecular weight of 175.27 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-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 89010387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).