3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine

C19H25NS — CID 63455867

IUPAC3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
SMILESCCCC(NC1CC(c2cccc(C)c2)C1)c1cccs1
InChIInChI=1S/C19H25NS/c1-3-6-18(19-9-5-10-21-19)20-17-12-16(13-17)15-8-4-7-14(2)11-15/h4-5,7-11,16-18,20H,3,6,12-13H2,1-2H3
InChIKeyGFXVUXVZRXFTDL-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.43
Rot. Bonds6

About 3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine

3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine (PubChem CID 63455867) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
PubChem CID63455867
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
SMILESCCCC(NC1CC(c2cccc(C)c2)C1)c1cccs1
InChIInChI=1S/C19H25NS/c1-3-6-18(19-9-5-10-21-19)20-17-12-16(13-17)15-8-4-7-14(2)11-15/h4-5,7-11,16-18,20H,3,6,12-13H2,1-2H3
InChIKeyGFXVUXVZRXFTDL-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723071
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 112553091
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
2-[[3-(3-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182462
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43634625
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine (CID 63455867) is 3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine is CCCC(NC1CC(c2cccc(C)c2)C1)c1cccs1.
What is the InChIKey of 3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine?
The InChIKey is GFXVUXVZRXFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-3-6-18(19-9-5-10-21-19)20-17-12-16(13-17)15-8-4-7-14(2)11-15/h4-5,7-11,16-18,20H,3,6,12-13H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine?
3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 63455867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).