(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine

C16H25N — CID 81386110

IUPAC(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)cc(CN[C@@H](C)C2CCCC2)c1
InChIInChI=1S/C16H25N/c1-12-8-13(2)10-15(9-12)11-17-14(3)16-6-4-5-7-16/h8-10,14,16-17H,4-7,11H2,1-3H3/t14-/m0/s1
InChIKeyXNUWOKIOOWQSRT-AWEZNQCLSA-N
MW231.38 g/mol
LogP3.97
Rot. Bonds4

About (1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine

(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 81386110) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
PubChem CID81386110
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)cc(CN[C@@H](C)C2CCCC2)c1
InChIInChI=1S/C16H25N/c1-12-8-13(2)10-15(9-12)11-17-14(3)16-6-4-5-7-16/h8-10,14,16-17H,4-7,11H2,1-3H3/t14-/m0/s1
InChIKeyXNUWOKIOOWQSRT-AWEZNQCLSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81395487
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880979
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385
(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81385952
(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 81384303
(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine (CID 81386110) is (1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine is Cc1cc(C)cc(CN[C@@H](C)C2CCCC2)c1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is XNUWOKIOOWQSRT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N/c1-12-8-13(2)10-15(9-12)11-17-14(3)16-6-4-5-7-16/h8-10,14,16-17H,4-7,11H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 81386110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).