4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride

C11H11Cl2NS — CID 24746834

IUPAC4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride
SMILESCl.Clc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C11H10ClNS.ClH/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9;/h1-6,8,13H,7H2;1H
InChIKeyABRYIVYZWAQELN-UHFFFAOYSA-N
MW260.19 g/mol
LogP4.44
Rot. Bonds3

About 4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride

4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride (PubChem CID 24746834) has the molecular formula C11H11Cl2NS and a molecular weight of 260.19 g/mol. Its IUPAC name is 4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride
PubChem CID24746834
Molecular FormulaC11H11Cl2NS
Molecular Weight260.19 g/mol
Exact Mass259.00
IUPAC Name4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride
SMILESCl.Clc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C11H10ClNS.ClH/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9;/h1-6,8,13H,7H2;1H
InChIKeyABRYIVYZWAQELN-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[[5-[(4-chloroanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155530279
1-(3-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2059105
2-amino-5-chloro-N-methyl-alpha-(3-methyl-2-thienyl)benzeneethanamine
CID 10062233
3-Thiophenecarbothioamide, N-(4-chloro-3-((2E)-butenylthio)phenyl)-2-methyl-
CID 5468799
Cambridge id 5261222
CID 763774
1-(4-Chloro-2-methylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 800555
1-(4-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2257886
2-chloro-N-[[5-[(2-chloroanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155529203
3-chloro-N-[[5-[(3-chloroanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155548311
(4-Chlorophenyl)[(5-nitro-2-thienyl)methyl]amine
CID 784234
N-(thiophen-2-ylmethyl)aniline
CID 1133193
1-(4-Chlorophenyl)-3-[2-(thiophen-2-yl)ethyl]urea
CID 6457397

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride?
The IUPAC name of 4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride (CID 24746834) is 4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride.
What is the SMILES notation for 4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride?
The canonical SMILES for 4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride is Cl.Clc1ccc(NCc2ccsc2)cc1.
What is the InChIKey of 4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride?
The InChIKey is ABRYIVYZWAQELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS.ClH/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9;/h1-6,8,13H,7H2;1H.
What are the key properties of 4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride?
4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride has a molecular weight of 260.19 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(thiophen-3-ylmethyl)aniline;hydrochloride is sourced from PubChem (CID 24746834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).