1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine

C15H22ClNS — CID 63532172

IUPAC1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(SC2CCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClNS/c1-3-17-11(2)12-8-9-15(14(16)10-12)18-13-6-4-5-7-13/h8-11,13,17H,3-7H2,1-2H3
InChIKeyPDNQCAYNNRIQNB-UHFFFAOYSA-N
MW283.87 g/mol
LogP5.05
Rot. Bonds5

About 1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine

1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine (PubChem CID 63532172) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
PubChem CID63532172
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(SC2CCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClNS/c1-3-17-11(2)12-8-9-15(14(16)10-12)18-13-6-4-5-7-13/h8-11,13,17H,3-7H2,1-2H3
InChIKeyPDNQCAYNNRIQNB-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.87
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939
1-(3-chloro-4-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 62912102
1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 64666325
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
1-[3-chloro-4-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine
CID 63532457
2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63533268
3-[2-chloro-4-[1-(ethylamino)ethyl]phenyl]sulfanylpropan-1-ol
CID 66114114
1-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 63533933
1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63533265
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 82968989
2-chloro-N-(cyclobutylmethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 107399202

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine (CID 63532172) is 1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine is CCNC(C)c1ccc(SC2CCCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine?
The InChIKey is PDNQCAYNNRIQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-3-17-11(2)12-8-9-15(14(16)10-12)18-13-6-4-5-7-13/h8-11,13,17H,3-7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine?
1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine has a molecular weight of 283.87 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine is sourced from PubChem (CID 63532172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).