2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine

C14H16ClNS — CID 55095727

IUPAC2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNS/c1-2-10-3-5-11(6-4-10)13(16)9-12-7-8-14(15)17-12/h3-8,13H,2,9,16H2,1H3
InChIKeyVFRZPUFZABGHCA-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.21
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine (PubChem CID 55095727) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
PubChem CID55095727
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNS/c1-2-10-3-5-11(6-4-10)13(16)9-12-7-8-14(15)17-12/h3-8,13H,2,9,16H2,1H3
InChIKeyVFRZPUFZABGHCA-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 62608282
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
2-(5-chlorothiophen-2-yl)-1-naphthalen-2-ylethanamine
CID 62716425
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine
CID 63412435
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115841589
2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine
CID 130573212
2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115841631
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine (CID 55095727) is 2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is VFRZPUFZABGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-2-10-3-5-11(6-4-10)13(16)9-12-7-8-14(15)17-12/h3-8,13H,2,9,16H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 265.81 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 55095727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).