N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine

C14H21NS — CID 63813023

IUPACN-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccccc1SC1CCCC1
InChIInChI=1S/C14H21NS/c1-2-15-11-12-7-3-6-10-14(12)16-13-8-4-5-9-13/h3,6-7,10,13,15H,2,4-5,8-9,11H2,1H3
InChIKeyJTLLPPWMIONNJR-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.83
Rot. Bonds5

About N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine

N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine (PubChem CID 63813023) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine
PubChem CID63813023
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccccc1SC1CCCC1
InChIInChI=1S/C14H21NS/c1-2-15-11-12-7-3-6-10-14(12)16-13-8-4-5-9-13/h3,6-7,10,13,15H,2,4-5,8-9,11H2,1H3
InChIKeyJTLLPPWMIONNJR-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 114055413
1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine
CID 117299483
1-(2-cyclobutylsulfanylphenyl)propan-2-one
CID 84686139
N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine
CID 63809642
2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline
CID 43737712
N-[(2-phenylsulfanylphenyl)methyl]ethanamine
CID 21402704
N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63805494
N-[[2-(cyclopentylmethylsulfanyl)phenyl]methyl]propan-1-amine
CID 63814692
N-[(2-cyclopropylsulfanylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 57448163
2-[(2-cyclopentylsulfanylanilino)methyl]aniline
CID 66419014
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
2-(ethylaminomethyl)phenol
CID 12995218

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine (CID 63813023) is N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine is CCNCc1ccccc1SC1CCCC1.
What is the InChIKey of N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine?
The InChIKey is JTLLPPWMIONNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-15-11-12-7-3-6-10-14(12)16-13-8-4-5-9-13/h3,6-7,10,13,15H,2,4-5,8-9,11H2,1H3.
What are the key properties of N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine?
N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 63813023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).