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

C18H25NS — CID 79417900

IUPACN-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(CC)s1)c1cccc(C)c1
InChIInChI=1S/C18H25NS/c1-4-17-9-10-18(20-17)12-16(13-19-5-2)15-8-6-7-14(3)11-15/h6-11,16,19H,4-5,12-13H2,1-3H3
InChIKeyQHBUWOCXMWBDDD-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.55
Rot. Bonds7

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

N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine (PubChem CID 79417900) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
PubChem CID79417900
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(CC)s1)c1cccc(C)c1
InChIInChI=1S/C18H25NS/c1-4-17-9-10-18(20-17)12-16(13-19-5-2)15-8-6-7-14(3)11-15/h6-11,16,19H,4-5,12-13H2,1-3H3
InChIKeyQHBUWOCXMWBDDD-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79417456
2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79416940
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79433672
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine (CID 79417900) is N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine is CCNCC(Cc1ccc(CC)s1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine?
The InChIKey is QHBUWOCXMWBDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-4-17-9-10-18(20-17)12-16(13-19-5-2)15-8-6-7-14(3)11-15/h6-11,16,19H,4-5,12-13H2,1-3H3.
What are the key properties of N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine?
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79417900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).