(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine

C15H23N — CID 81394920

IUPAC(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CN[C@H](C)C2CCCC2)cc1
InChIInChI=1S/C15H23N/c1-12-7-9-14(10-8-12)11-16-13(2)15-5-3-4-6-15/h7-10,13,15-16H,3-6,11H2,1-2H3/t13-/m1/s1
InChIKeyITHVQHKKRPHQIT-CYBMUJFWSA-N
MW217.36 g/mol
LogP3.66
Rot. Bonds4

About (1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine

(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 81394920) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID81394920
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CN[C@H](C)C2CCCC2)cc1
InChIInChI=1S/C15H23N/c1-12-7-9-14(10-8-12)11-16-13(2)15-5-3-4-6-15/h7-10,13,15-16H,3-6,11H2,1-2H3/t13-/m1/s1
InChIKeyITHVQHKKRPHQIT-CYBMUJFWSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43308024
(1R)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81395487
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
CID 43769966
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine (CID 81394920) is (1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine is Cc1ccc(CN[C@H](C)C2CCCC2)cc1.
What is the InChIKey of (1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is ITHVQHKKRPHQIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N/c1-12-7-9-14(10-8-12)11-16-13(2)15-5-3-4-6-15/h7-10,13,15-16H,3-6,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine?
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 217.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81394920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).