5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine

C18H16ClNS — CID 90938185

IUPAC5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine
SMILESCCc1c(-c2ccc(Cl)cc2)sc(N)c1-c1ccccc1
InChIInChI=1S/C18H16ClNS/c1-2-15-16(12-6-4-3-5-7-12)18(20)21-17(15)13-8-10-14(19)11-9-13/h3-11H,2,20H2,1H3
InChIKeyYNRCBXZNSDLYLU-UHFFFAOYSA-N
MW313.85 g/mol
LogP5.88
Rot. Bonds3

About 5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine

5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine (PubChem CID 90938185) has the molecular formula C18H16ClNS and a molecular weight of 313.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine
PubChem CID90938185
Molecular FormulaC18H16ClNS
Molecular Weight313.85 g/mol
Exact Mass313.07
IUPAC Name5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine
SMILESCCc1c(-c2ccc(Cl)cc2)sc(N)c1-c1ccccc1
InChIInChI=1S/C18H16ClNS/c1-2-15-16(12-6-4-3-5-7-12)18(20)21-17(15)13-8-10-14(19)11-9-13/h3-11H,2,20H2,1H3
InChIKeyYNRCBXZNSDLYLU-UHFFFAOYSA-N
XLogP5.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.85
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
CID 139964410
1-chloro-4-phenylbenzene;ethanamine
CID 174641678
ethyl 2-amino-4,5-bis(4-chlorophenyl)thiophene-3-carboxylate
CID 141288217
N-[4-[3,4-diethyl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90057956
3-(4-chlorophenyl)-1-benzothiophen-2-amine
CID 19882335
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene
CID 86098601
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
[2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone
CID 122188047
3,4-bis(chloromethyl)-2,5-diphenylthiophene
CID 11727323
methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate
CID 61312784
N-[4-[5-[4-(N-[4-[4-[4-[4-(N-[4-[3,4-diethyl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]-3,4-dimethylthiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 123148058

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine (CID 90938185) is 5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine is CCc1c(-c2ccc(Cl)cc2)sc(N)c1-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine?
The InChIKey is YNRCBXZNSDLYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNS/c1-2-15-16(12-6-4-3-5-7-12)18(20)21-17(15)13-8-10-14(19)11-9-13/h3-11H,2,20H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine?
5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine has a molecular weight of 313.85 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine is sourced from PubChem (CID 90938185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).