3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine

C14H20ClNS — CID 104530256

IUPAC3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
SMILESCSCC(C)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNS/c1-10(9-17-2)16-14-7-12(8-14)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyCKVSKSXWTGFXLP-UHFFFAOYSA-N
MW269.84 g/mol
LogP3.93
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine

3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine (PubChem CID 104530256) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
PubChem CID104530256
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
SMILESCSCC(C)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNS/c1-10(9-17-2)16-14-7-12(8-14)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyCKVSKSXWTGFXLP-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine
CID 43675913
3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
CID 104530462
N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718
3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 43692587
3-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 81349096
3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83142856
(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634782
N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 43677527
3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine
CID 104530475
N-[3-(4-chlorophenyl)cyclobutyl]-2-ethylsulfanylaniline
CID 63453439
3-(3-chlorophenyl)-N-(5-methylhexan-2-yl)cyclobutan-1-amine
CID 43634179

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine (CID 104530256) is 3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine is CSCC(C)NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is CKVSKSXWTGFXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-10(9-17-2)16-14-7-12(8-14)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 269.84 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 104530256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).