N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine

C18H25NS — CID 43496874

IUPACN-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1cc(C)sc1C
InChIInChI=1S/C18H25NS/c1-5-10-19-18(17-11-14(3)20-15(17)4)12-16-9-7-6-8-13(16)2/h6-9,11,18-19H,5,10,12H2,1-4H3
InChIKeyFPSGCOVJQQTPOJ-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.96
Rot. Bonds6

About N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine

N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 43496874) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID43496874
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1cc(C)sc1C
InChIInChI=1S/C18H25NS/c1-5-10-19-18(17-11-14(3)20-15(17)4)12-16-9-7-6-8-13(16)2/h6-9,11,18-19H,5,10,12H2,1-4H3
InChIKeyFPSGCOVJQQTPOJ-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43496902
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
N-[1-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528282
1-(2,5-dimethylthiophen-3-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 43496920
N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163554
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 60819521
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine (CID 43496874) is N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1C)c1cc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is FPSGCOVJQQTPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-5-10-19-18(17-11-14(3)20-15(17)4)12-16-9-7-6-8-13(16)2/h6-9,11,18-19H,5,10,12H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43496874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).