4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline

C14H17ClN2S — CID 10062233

IUPAC4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCNC(Cc1cc(Cl)ccc1N)c1sccc1C
InChIInChI=1S/C14H17ClN2S/c1-9-5-6-18-14(9)13(17-2)8-10-7-11(15)3-4-12(10)16/h3-7,13,17H,8,16H2,1-2H3
InChIKeyWVYGOCRXELKHJC-UHFFFAOYSA-N
MW280.82 g/mol
LogP3.80
Rot. Bonds4

About 4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline

4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 10062233) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID10062233
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCNC(Cc1cc(Cl)ccc1N)c1sccc1C
InChIInChI=1S/C14H17ClN2S/c1-9-5-6-18-14(9)13(17-2)8-10-7-11(15)3-4-12(10)16/h3-7,13,17H,8,16H2,1-2H3
InChIKeyWVYGOCRXELKHJC-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 53.80
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-amino-N,N-dimethyl-alpha-(3-methyl-2-thienyl)benzeneethanamine
CID 10061179
1-(4-Chloro-2-methylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 800555
2-[2-(3-Methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride
CID 45261382
2-[2-(Methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261385
2-[2-(Ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261407
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline
CID 10061927
2-[2-(Methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline
CID 11776690
2-[2-(Methylamino)-2-thiophen-2-ylethyl]aniline;hydrochloride
CID 45261350
N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261408
2-[2-Amino-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45264800
4-chloro-N-(thiophen-3-ylmethyl)aniline
CID 3162059
2-amino-N-methyl-alpha-(2-thienyl)benzeneethanamine
CID 10263363

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline (CID 10062233) is 4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline is CNC(Cc1cc(Cl)ccc1N)c1sccc1C.
What is the InChIKey of 4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is WVYGOCRXELKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-9-5-6-18-14(9)13(17-2)8-10-7-11(15)3-4-12(10)16/h3-7,13,17H,8,16H2,1-2H3.
What are the key properties of 4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 280.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 10062233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).