N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine

C14H21N — CID 94558404

IUPACN-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine
SMILESCNC[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21N/c1-10(2)11-4-6-12(7-5-11)14-8-13(14)9-15-3/h4-7,10,13-15H,8-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyZBRXKXVCCLJLRX-UONOGXRCSA-N
MW203.33 g/mol
LogP3.13
Rot. Bonds4

About N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine

N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine (PubChem CID 94558404) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine
PubChem CID94558404
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine
SMILESCNC[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21N/c1-10(2)11-4-6-12(7-5-11)14-8-13(14)9-15-3/h4-7,10,13-15H,8-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyZBRXKXVCCLJLRX-UONOGXRCSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine
CID 81028814
N-methyl-1-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 94558306
N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 89010387
1-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558328
1-[2-(4-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 53275677
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558335
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228
N-methyl-1-[(1S,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]methanamine
CID 94558259
N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine
CID 53275665
2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 81022290
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558340

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine (CID 94558404) is N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine is CNC[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine?
The InChIKey is ZBRXKXVCCLJLRX-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)11-4-6-12(7-5-11)14-8-13(14)9-15-3/h4-7,10,13-15H,8-9H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine?
N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine has a molecular weight of 203.33 g/mol, XLogP of 3.13, 4 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-(4-propan-2-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 94558404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).