(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine

C15H23N — CID 81364259

IUPAC(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCC2CCCC2)c1
InChIInChI=1S/C15H23N/c1-12-6-5-9-15(10-12)13(2)16-11-14-7-3-4-8-14/h5-6,9-10,13-14,16H,3-4,7-8,11H2,1-2H3/t13-/m0/s1
InChIKeyWSYAYBLLJUDEFM-ZDUSSCGKSA-N
MW217.36 g/mol
LogP3.84
Rot. Bonds4

About (1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine

(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine (PubChem CID 81364259) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
PubChem CID81364259
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCC2CCCC2)c1
InChIInChI=1S/C15H23N/c1-12-6-5-9-15(10-12)13(2)16-11-14-7-3-4-8-14/h5-6,9-10,13-14,16H,3-4,7-8,11H2,1-2H3/t13-/m0/s1
InChIKeyWSYAYBLLJUDEFM-ZDUSSCGKSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658
(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897573
3-[1-(cyclobutylmethylamino)ethyl]benzonitrile
CID 43775260
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine (CID 81364259) is (1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine is Cc1cccc([C@H](C)NCC2CCCC2)c1.
What is the InChIKey of (1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is WSYAYBLLJUDEFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N/c1-12-6-5-9-15(10-12)13(2)16-11-14-7-3-4-8-14/h5-6,9-10,13-14,16H,3-4,7-8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine?
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 217.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81364259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).