1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine

C19H27NS — CID 63417309

IUPAC1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)Cc1ccc(CC)s1
InChIInChI=1S/C19H27NS/c1-3-14-20-17(11-10-16-8-6-5-7-9-16)15-19-13-12-18(4-2)21-19/h5-9,12-13,17,20H,3-4,10-11,14-15H2,1-2H3
InChIKeyNAADWXZXYMDWLH-UHFFFAOYSA-N
MW301.50 g/mol
LogP4.85
Rot. Bonds9

About 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine

1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine (PubChem CID 63417309) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
PubChem CID63417309
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)Cc1ccc(CC)s1
InChIInChI=1S/C19H27NS/c1-3-14-20-17(11-10-16-8-6-5-7-9-16)15-19-13-12-18(4-2)21-19/h5-9,12-13,17,20H,3-4,10-11,14-15H2,1-2H3
InChIKeyNAADWXZXYMDWLH-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-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-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417307
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
CID 115842424
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
CID 116662072

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine (CID 63417309) is 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine is CCCNC(CCc1ccccc1)Cc1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine?
The InChIKey is NAADWXZXYMDWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-3-14-20-17(11-10-16-8-6-5-7-9-16)15-19-13-12-18(4-2)21-19/h5-9,12-13,17,20H,3-4,10-11,14-15H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine?
1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine has a molecular weight of 301.50 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine is sourced from PubChem (CID 63417309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).