2-(3-chlorophenyl)-1-thiophen-2-ylethanamine

C12H12ClNS — CID 3061997

IUPAC2-(3-chlorophenyl)-1-thiophen-2-ylethanamine
SMILESNC(Cc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H12ClNS/c13-10-4-1-3-9(7-10)8-11(14)12-5-2-6-15-12/h1-7,11H,8,14H2
InChIKeyRRCNZEYEYGVESF-UHFFFAOYSA-N
MW237.76 g/mol
LogP3.64
Rot. Bonds3

About 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine

2-(3-chlorophenyl)-1-thiophen-2-ylethanamine (PubChem CID 3061997) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-thiophen-2-ylethanamine
PubChem CID3061997
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name2-(3-chlorophenyl)-1-thiophen-2-ylethanamine
SMILESNC(Cc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H12ClNS/c13-10-4-1-3-9(7-10)8-11(14)12-5-2-6-15-12/h1-7,11H,8,14H2
InChIKeyRRCNZEYEYGVESF-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2739269
[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
(5-Chlorobenzo[b]thiophen-3-yl)methanamine
CID 2798782
(3-Chloro-1-benzothiophen-2-yl)methanamine
CID 17607365
N-((2-chlorophenyl)methyl)thiophene-3-ethylamine
CID 6454012
(5-Phenylthiophen-2-yl)methanamine hydrochloride
CID 12323239
(4-Fluorophenyl)(thiophen-2-yl)methanamine
CID 4962648
4-(2-chlorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 21953224
(4-Chlorophenyl)(thiophen-2-yl)methanamine
CID 22506646
Phenyl(thiophen-2-yl)methanamine
CID 335613
2-(3-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3061996
2-Thenylamine, alpha-(m-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3061998

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine (CID 3061997) is 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine is NC(Cc1cccc(Cl)c1)c1cccs1.
What is the InChIKey of 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine?
The InChIKey is RRCNZEYEYGVESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c13-10-4-1-3-9(7-10)8-11(14)12-5-2-6-15-12/h1-7,11H,8,14H2.
What are the key properties of 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine?
2-(3-chlorophenyl)-1-thiophen-2-ylethanamine has a molecular weight of 237.76 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 3061997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).