3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine

C19H27NS — CID 79424300

IUPAC3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(CC)s1)c1ccccc1C
InChIInChI=1S/C19H27NS/c1-4-12-20-14-16(19-9-7-6-8-15(19)3)13-18-11-10-17(5-2)21-18/h6-11,16,20H,4-5,12-14H2,1-3H3
InChIKeyKYVMTNNFTCIILX-UHFFFAOYSA-N
MW301.50 g/mol
LogP4.94
Rot. Bonds8

About 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine

3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine (PubChem CID 79424300) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
PubChem CID79424300
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(CC)s1)c1ccccc1C
InChIInChI=1S/C19H27NS/c1-4-12-20-14-16(19-9-7-6-8-15(19)3)13-18-11-10-17(5-2)21-18/h6-11,16,20H,4-5,12-14H2,1-3H3
InChIKeyKYVMTNNFTCIILX-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-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

3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79424431
3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424302
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79420864
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
2-(2-methylphenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730104
(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375029
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79424142
N-[2-(5-ethylthiophen-2-yl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 115842306

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine (CID 79424300) is 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine is CCCNCC(Cc1ccc(CC)s1)c1ccccc1C.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is KYVMTNNFTCIILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-4-12-20-14-16(19-9-7-6-8-15(19)3)13-18-11-10-17(5-2)21-18/h6-11,16,20H,4-5,12-14H2,1-3H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine?
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 79424300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).