3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine

C19H27NS — CID 63454459

IUPAC3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine
SMILESCCCC(NC(CC(C)C)c1ccccc1)c1cccs1
InChIInChI=1S/C19H27NS/c1-4-9-17(19-12-8-13-21-19)20-18(14-15(2)3)16-10-6-5-7-11-16/h5-8,10-13,15,17-18,20H,4,9,14H2,1-3H3
InChIKeyMLYIMFWMFQIJRG-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.97
Rot. Bonds8

About 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine

3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine (PubChem CID 63454459) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine
PubChem CID63454459
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine
SMILESCCCC(NC(CC(C)C)c1ccccc1)c1cccs1
InChIInChI=1S/C19H27NS/c1-4-9-17(19-12-8-13-21-19)20-18(14-15(2)3)16-10-6-5-7-11-16/h5-8,10-13,15,17-18,20H,4,9,14H2,1-3H3
InChIKeyMLYIMFWMFQIJRG-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
CID 63456390
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
3-methyl-2-(1-thiophen-2-ylbutylamino)butanoic acid
CID 103244536
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398782
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine?
The IUPAC name of 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine (CID 63454459) is 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine?
The canonical SMILES for 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine is CCCC(NC(CC(C)C)c1ccccc1)c1cccs1.
What is the InChIKey of 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine?
The InChIKey is MLYIMFWMFQIJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-4-9-17(19-12-8-13-21-19)20-18(14-15(2)3)16-10-6-5-7-11-16/h5-8,10-13,15,17-18,20H,4,9,14H2,1-3H3.
What are the key properties of 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine?
3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine is sourced from PubChem (CID 63454459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).