2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride

C16H21Cl2NS — CID 3062004

IUPAC2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCN(CC)C(Cc1ccc(Cl)cc1)c1cccs1.Cl
InChIInChI=1S/C16H20ClNS.ClH/c1-3-18(4-2)15(16-6-5-11-19-16)12-13-7-9-14(17)10-8-13;/h5-11,15H,3-4,12H2,1-2H3;1H
InChIKeyVAZVHLQOZWTIFI-UHFFFAOYSA-N
MW330.32 g/mol
LogP5.45
Rot. Bonds6

About 2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride

2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3062004) has the molecular formula C16H21Cl2NS and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3062004
Molecular FormulaC16H21Cl2NS
Molecular Weight330.32 g/mol
Exact Mass329.08
IUPAC Name2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCN(CC)C(Cc1ccc(Cl)cc1)c1cccs1.Cl
InChIInChI=1S/C16H20ClNS.ClH/c1-3-18(4-2)15(16-6-5-11-19-16)12-13-7-9-14(17)10-8-13;/h5-11,15H,3-4,12H2,1-2H3;1H
InChIKeyVAZVHLQOZWTIFI-UHFFFAOYSA-N
XLogP5.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.32
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65335
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[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
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N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 44535881
1-[1-[2-(2,3-dichlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168296118
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-chlorophenyl)methyl)-, monohydrochloride
CID 3041280
2-chloro-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587607
4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587634
N-benzyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156020809
N-benzyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
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1-[(4-Chlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 285511
2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 20546726

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride (CID 3062004) is 2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride is CCN(CC)C(Cc1ccc(Cl)cc1)c1cccs1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is VAZVHLQOZWTIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS.ClH/c1-3-18(4-2)15(16-6-5-11-19-16)12-13-7-9-14(17)10-8-13;/h5-11,15H,3-4,12H2,1-2H3;1H.
What are the key properties of 2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride?
2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 330.32 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 3062004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).