N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine

C17H23NS — CID 102840839

IUPACN-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1ccsc1C
InChIInChI=1S/C17H23NS/c1-4-18-17(16-11-12-19-14(16)3)10-9-15-7-5-13(2)6-8-15/h5-8,11-12,17-18H,4,9-10H2,1-3H3
InChIKeyLJAUJJOSARICHR-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.65
Rot. Bonds6

About N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine

N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine (PubChem CID 102840839) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
PubChem CID102840839
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1ccsc1C
InChIInChI=1S/C17H23NS/c1-4-18-17(16-11-12-19-14(16)3)10-9-15-7-5-13(2)6-8-15/h5-8,11-12,17-18H,4,9-10H2,1-3H3
InChIKeyLJAUJJOSARICHR-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842310
1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 102840351
N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102840306
N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine
CID 102833204
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105097119
1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105397098
N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
CID 105098484
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832965
1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857169
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine (CID 102840839) is N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine is CCNC(CCc1ccc(C)cc1)c1ccsc1C.
What is the InChIKey of N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine?
The InChIKey is LJAUJJOSARICHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-18-17(16-11-12-19-14(16)3)10-9-15-7-5-13(2)6-8-15/h5-8,11-12,17-18H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine?
N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine has a molecular weight of 273.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine is sourced from PubChem (CID 102840839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).