3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine

C14H20ClNOS — CID 104530475

IUPAC3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine
SMILESCC(CNC1CC(c2ccc(Cl)cc2)C1)S(C)=O
InChIInChI=1S/C14H20ClNOS/c1-10(18(2)17)9-16-14-7-12(8-14)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyJNVLFCZLLKRLCL-UHFFFAOYSA-N
MW285.84 g/mol
LogP2.94
Rot. Bonds5

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

3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine (PubChem CID 104530475) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine
PubChem CID104530475
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine
SMILESCC(CNC1CC(c2ccc(Cl)cc2)C1)S(C)=O
InChIInChI=1S/C14H20ClNOS/c1-10(18(2)17)9-16-14-7-12(8-14)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyJNVLFCZLLKRLCL-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83142856
3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634782
3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
CID 43635778
3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol
CID 104528160
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
CID 43635604
3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
CID 104530229
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 104530256
6-chloro-N-(2-methylsulfinylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115896272
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine (CID 104530475) is 3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine is CC(CNC1CC(c2ccc(Cl)cc2)C1)S(C)=O.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine?
The InChIKey is JNVLFCZLLKRLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-10(18(2)17)9-16-14-7-12(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-(2-methylsulfinylpropyl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine has a molecular weight of 285.84 g/mol, XLogP of 2.94, 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-(2-methylsulfinylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 104530475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).