3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine

C19H25NS — CID 43723071

IUPAC3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NC(c3cccs3)C(C)C)C2)c1
InChIInChI=1S/C19H25NS/c1-13(2)19(18-8-5-9-21-18)20-17-11-16(12-17)15-7-4-6-14(3)10-15/h4-10,13,16-17,19-20H,11-12H2,1-3H3
InChIKeyXHVWHRLFQXWTEN-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.29
Rot. Bonds5

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

3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine (PubChem CID 43723071) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
PubChem CID43723071
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NC(c3cccs3)C(C)C)C2)c1
InChIInChI=1S/C19H25NS/c1-13(2)19(18-8-5-9-21-18)20-17-11-16(12-17)15-7-4-6-14(3)10-15/h4-10,13,16-17,19-20H,11-12H2,1-3H3
InChIKeyXHVWHRLFQXWTEN-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723065
3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 63455867
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43634625
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine
CID 104530209
3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 80526459

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine (CID 43723071) is 3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine is Cc1cccc(C2CC(NC(c3cccs3)C(C)C)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The InChIKey is XHVWHRLFQXWTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-13(2)19(18-8-5-9-21-18)20-17-11-16(12-17)15-7-4-6-14(3)10-15/h4-10,13,16-17,19-20H,11-12H2,1-3H3.
What are the key properties of 3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 43723071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).