N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine

C16H21NS — CID 79996723

IUPACN-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2sccc2C)c1
InChIInChI=1S/C16H21NS/c1-4-9-17-13(3)14-6-5-7-15(11-14)16-12(2)8-10-18-16/h5-8,10-11,13,17H,4,9H2,1-3H3
InChIKeyIGYYUUGXWAIRGX-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.78
Rot. Bonds5

About N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine

N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine (PubChem CID 79996723) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine
PubChem CID79996723
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2sccc2C)c1
InChIInChI=1S/C16H21NS/c1-4-9-17-13(3)14-6-5-7-15(11-14)16-12(2)8-10-18-16/h5-8,10-11,13,17H,4,9H2,1-3H3
InChIKeyIGYYUUGXWAIRGX-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63424482
N-[1-[3-(3,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424974
N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine
CID 106783952
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66021648
N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine
CID 114689884
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504675
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine (CID 79996723) is N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(-c2sccc2C)c1.
What is the InChIKey of N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is IGYYUUGXWAIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-9-17-13(3)14-6-5-7-15(11-14)16-12(2)8-10-18-16/h5-8,10-11,13,17H,4,9H2,1-3H3.
What are the key properties of N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine?
N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 79996723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).