3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine

C19H23NS — CID 60975909

IUPAC3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCCSc3ccccc3)C2)cc1
InChIInChI=1S/C19H23NS/c1-15-7-9-16(10-8-15)17-13-18(14-17)20-11-12-21-19-5-3-2-4-6-19/h2-10,17-18,20H,11-14H2,1H3
InChIKeyVCLZWCLJDUCCNK-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.62
Rot. Bonds6

About 3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine

3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine (PubChem CID 60975909) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
PubChem CID60975909
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCCSc3ccccc3)C2)cc1
InChIInChI=1S/C19H23NS/c1-15-7-9-16(10-8-15)17-13-18(14-17)20-11-12-21-19-5-3-2-4-6-19/h2-10,17-18,20H,11-14H2,1H3
InChIKeyVCLZWCLJDUCCNK-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 112554477
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633160
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 62313715
N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine
CID 104926345
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 63454059
N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634778
N-(2-phenylsulfanylethyl)oxolan-3-amine
CID 63335095
N-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79730811
2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182335

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine (CID 60975909) is 3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCCSc3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine?
The InChIKey is VCLZWCLJDUCCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-15-7-9-16(10-8-15)17-13-18(14-17)20-11-12-21-19-5-3-2-4-6-19/h2-10,17-18,20H,11-14H2,1H3.
What are the key properties of 3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine?
3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine is sourced from PubChem (CID 60975909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).