1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine

C19H27NS — CID 43287985

IUPAC1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(-c2cccc(CC)c2)s1)C(C)C
InChIInChI=1S/C19H27NS/c1-5-12-20-19(14(3)4)18-11-10-17(21-18)16-9-7-8-15(6-2)13-16/h7-11,13-14,19-20H,5-6,12H2,1-4H3
InChIKeyKTLKMIBSFFPFRM-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.67
Rot. Bonds7

About 1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine

1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine (PubChem CID 43287985) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
PubChem CID43287985
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(-c2cccc(CC)c2)s1)C(C)C
InChIInChI=1S/C19H27NS/c1-5-12-20-19(14(3)4)18-11-10-17(21-18)16-9-7-8-15(6-2)13-16/h7-11,13-14,19-20H,5-6,12H2,1-4H3
InChIKeyKTLKMIBSFFPFRM-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43288084
1-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43288186
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
CID 43494310
1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43288036
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287835
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81280056
1-[5-(2-bromo-4-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81279710
N-ethyl-2-methyl-1-(5-pyridin-3-ylthiophen-2-yl)propan-1-amine
CID 107586196
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine
CID 82541591
N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 79049605
1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 63400861

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine (CID 43287985) is 1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccc(-c2cccc(CC)c2)s1)C(C)C.
What is the InChIKey of 1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
The InChIKey is KTLKMIBSFFPFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-5-12-20-19(14(3)4)18-11-10-17(21-18)16-9-7-8-15(6-2)13-16/h7-11,13-14,19-20H,5-6,12H2,1-4H3.
What are the key properties of 1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 43287985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).