N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine

C14H20ClNS — CID 113245740

IUPACN-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNS/c1-10(11-3-5-12(15)6-4-11)16-13-7-8-14(9-13)17-2/h3-6,10,13-14,16H,7-9H2,1-2H3
InChIKeyQQMOMBMAPJPIIF-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.27
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine

N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 113245740) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID113245740
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNS/c1-10(11-3-5-12(15)6-4-11)16-13-7-8-14(9-13)17-2/h3-6,10,13-14,16H,7-9H2,1-2H3
InChIKeyQQMOMBMAPJPIIF-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711389
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103711220
N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560864
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzene-1,4-diol
CID 114122802
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 102612848
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172
3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 103786809
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine (CID 113245740) is N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine is CSC1CCC(NC(C)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is QQMOMBMAPJPIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-10(11-3-5-12(15)6-4-11)16-13-7-8-14(9-13)17-2/h3-6,10,13-14,16H,7-9H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 269.84 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 113245740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).