2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride

C16H23ClN2S — CID 45261382

IUPAC2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride
SMILESCCCNC(Cc1ccccc1N)c1sccc1C.Cl
InChIInChI=1S/C16H22N2S.ClH/c1-3-9-18-15(16-12(2)8-10-19-16)11-13-6-4-5-7-14(13)17;/h4-8,10,15,18H,3,9,11,17H2,1-2H3;1H
InChIKeyOEWDPEBAGMZPLW-UHFFFAOYSA-N
MW310.89 g/mol
LogP4.34
Rot. Bonds6

About 2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride

2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride (PubChem CID 45261382) has the molecular formula C16H23ClN2S and a molecular weight of 310.89 g/mol. Its IUPAC name is 2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride
PubChem CID45261382
Molecular FormulaC16H23ClN2S
Molecular Weight310.89 g/mol
Exact Mass310.13
IUPAC Name2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride
SMILESCCCNC(Cc1ccccc1N)c1sccc1C.Cl
InChIInChI=1S/C16H22N2S.ClH/c1-3-9-18-15(16-12(2)8-10-19-16)11-13-6-4-5-7-14(13)17;/h4-8,10,15,18H,3,9,11,17H2,1-2H3;1H
InChIKeyOEWDPEBAGMZPLW-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.89
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Fluoro-6-[(2-thienylmethyl)amino]benzonitrile
CID 566162
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)aniline
CID 44369431
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
CID 10039780
2-amino-N,N-dimethyl-alpha-(3-methyl-2-thienyl)benzeneethanamine
CID 10061179
2-amino-5-chloro-N-methyl-alpha-(3-methyl-2-thienyl)benzeneethanamine
CID 10062233
2-Amino 5-bromo-N-methyl-alpha-(3-methyl-2-thienyl)benzeneethaneamine
CID 10471536
2,2,4-Trimethyl-6-(3-methylthiophen-2-yl)-1,2-dihydroquinoline
CID 23433451
N-[2-(dimethylamino)ethyl]-N'-(2-ethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4600984
1-(4-Butylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2192957

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride?
The IUPAC name of 2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride (CID 45261382) is 2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride.
What is the SMILES notation for 2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride?
The canonical SMILES for 2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride is CCCNC(Cc1ccccc1N)c1sccc1C.Cl.
What is the InChIKey of 2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride?
The InChIKey is OEWDPEBAGMZPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S.ClH/c1-3-9-18-15(16-12(2)8-10-19-16)11-13-6-4-5-7-14(13)17;/h4-8,10,15,18H,3,9,11,17H2,1-2H3;1H.
What are the key properties of 2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride?
2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride has a molecular weight of 310.89 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride is sourced from PubChem (CID 45261382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).