1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine

C13H14ClNS — CID 79991406

IUPAC1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(C)(N)c1ccccc1Cl
InChIInChI=1S/C13H14ClNS/c1-9-7-8-16-12(9)13(2,15)10-5-3-4-6-11(10)14/h3-8H,15H2,1-2H3
InChIKeyJUXWDDIDZDTRPG-UHFFFAOYSA-N
MW251.78 g/mol
LogP3.93
Rot. Bonds2

About 1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine

1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 79991406) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID79991406
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(C)(N)c1ccccc1Cl
InChIInChI=1S/C13H14ClNS/c1-9-7-8-16-12(9)13(2,15)10-5-3-4-6-11(10)14/h3-8H,15H2,1-2H3
InChIKeyJUXWDDIDZDTRPG-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-((2-chlorophenyl)methyl)thiophene-3-ethylamine
CID 6454012
(4-Chlorophenyl)(thiophen-2-yl)methanamine
CID 22506646
2-(3-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3061996
2-(4-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062000
2-(2,6-Dichlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062007
(4-Chlorophenyl)(thiophen-2-yl)methanamine hydrochloride
CID 42950978
N-((2-chlorophenyl)methyl)thiophene-2-ethylamine hydrochloride
CID 6454011
[3-Chloro-4-(thiophen-2-yl)phenyl]methanamine
CID 108393143
(4-Chlorophenyl)(thiophen-3-yl)methanamine hydrochloride
CID 45792317
1-Phenyl-1-thiophen-2-ylbut-3-en-1-amine
CID 66811222
N-[(2-Chlorophenyl)methyl]-2-(thiophen-3-yl)ethan-1-amine
CID 11970562
N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydron;chloride
CID 91993764

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine (CID 79991406) is 1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(C)(N)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is JUXWDDIDZDTRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-9-7-8-16-12(9)13(2,15)10-5-3-4-6-11(10)14/h3-8H,15H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine?
1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 251.78 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 79991406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).