N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine

C17H23NS — CID 63413251

IUPACN-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)c1ccsc1
InChIInChI=1S/C17H23NS/c1-4-8-18-17(16-7-9-19-12-16)11-15-6-5-13(2)14(3)10-15/h5-7,9-10,12,17-18H,4,8,11H2,1-3H3
InChIKeyBHVKNTYBGWGOMT-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.65
Rot. Bonds6

About N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine

N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine (PubChem CID 63413251) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
PubChem CID63413251
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)c1ccsc1
InChIInChI=1S/C17H23NS/c1-4-8-18-17(16-7-9-19-12-16)11-15-6-5-13(2)14(3)10-15/h5-7,9-10,12,17-18H,4,8,11H2,1-3H3
InChIKeyBHVKNTYBGWGOMT-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 ≤ 500273.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[1-(4-bromothiophen-3-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 79596087
3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]thiophene
CID 63520389
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078926
N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 66447481
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103402410
N-[2-(1-ethylpyrazol-4-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62126619
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62902240
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine (CID 63413251) is N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccc(C)c(C)c1)c1ccsc1.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is BHVKNTYBGWGOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-8-18-17(16-7-9-19-12-16)11-15-6-5-13(2)14(3)10-15/h5-7,9-10,12,17-18H,4,8,11H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine?
N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 273.44 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-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 63413251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).