cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine

C13H19N — CID 94869351

IUPACcis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
SMILESCN[C@H]1CCC[C@H]1c1ccc(C)cc1
InChIInChI=1S/C13H19N/c1-10-6-8-11(9-7-10)12-4-3-5-13(12)14-2/h6-9,12-14H,3-5H2,1-2H3/t12-,13-/m0/s1
InChIKeyGZYLTDDKXDHLRT-STQMWFEESA-N
MW189.30 g/mol
LogP2.85
Rot. Bonds2

About cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine

cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine (PubChem CID 94869351) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
PubChem CID94869351
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Namecis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
SMILESCN[C@H]1CCC[C@H]1c1ccc(C)cc1
InChIInChI=1S/C13H19N/c1-10-6-8-11(9-7-10)12-4-3-5-13(12)14-2/h6-9,12-14H,3-5H2,1-2H3/t12-,13-/m0/s1
InChIKeyGZYLTDDKXDHLRT-STQMWFEESA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 62604410
2-(4-bromophenyl)-N-methylcycloheptan-1-amine
CID 82249332
cis-(1R,2R)-2-(4-methylphenyl)cyclopentan-1-ol
CID 26594915
2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
CID 62801613
2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine
CID 114605834
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine
CID 55120346
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
CID 107290018
N-methyl-2-(5-methyl-3-pyridinyl)cycloheptan-1-amine
CID 115375197
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclopentan-1-amine
CID 104544129
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
CID 62801780

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine (CID 94869351) is cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine is CN[C@H]1CCC[C@H]1c1ccc(C)cc1.
What is the InChIKey of cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine?
The InChIKey is GZYLTDDKXDHLRT-STQMWFEESA-N. The full InChI is InChI=1S/C13H19N/c1-10-6-8-11(9-7-10)12-4-3-5-13(12)14-2/h6-9,12-14H,3-5H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine?
cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 94869351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).