2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine

C22H22ClNS — CID 66572342

IUPAC2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine
SMILESNCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNS/c23-21-13-11-20(12-14-21)22(25-16-15-24,19-9-5-2-6-10-19)17-18-7-3-1-4-8-18/h1-14H,15-17,24H2
InChIKeyVEENITYNLWXOSY-UHFFFAOYSA-N
MW367.95 g/mol
LogP5.52
Rot. Bonds7

About 2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine

2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine (PubChem CID 66572342) has the molecular formula C22H22ClNS and a molecular weight of 367.95 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine
PubChem CID66572342
Molecular FormulaC22H22ClNS
Molecular Weight367.95 g/mol
Exact Mass367.12
IUPAC Name2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine
SMILESNCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNS/c23-21-13-11-20(12-14-21)22(25-16-15-24,19-9-5-2-6-10-19)17-18-7-3-1-4-8-18/h1-14H,15-17,24H2
InChIKeyVEENITYNLWXOSY-UHFFFAOYSA-N
XLogP5.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.95
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

S-Tritylcysteamine
CID 262764
2-[Bis(4-chlorophenyl)methylsulfanyl]ethanamine
CID 11723014
2-(Diphenyl(P-Tolyl)Methylthio)Ethanamine
CID 57380880
2-(Phenyldip-Tolylmethylthio)Ethanamine
CID 71719943
N-(2-((bis(4-chlorophenyl)methyl)sulfinyl)ethyl)-3-phenylpropan-1-amine
CID 76314638
3-(Tritylthio)propylamine
CID 24806228
4-[(Triphenylmethyl)sulfanyl]butan-1-amine
CID 24806229
(2R)-2-azaniumyl-3-[(4-chlorophenyl)-diphenylmethyl]sulfanylpropanoate
CID 72199506
2-[(3-Fluorophenyl)-diphenylmethyl]sulfanylethanamine
CID 57326384
2-[(3-Chlorophenyl)-diphenylmethyl]sulfanylethanamine
CID 57326475
2-[(3-Methylphenyl)-diphenylmethyl]sulfanylethanamine
CID 57326477
2-(((3-Ethylphenyl) diphenylmethyl)thio)ethan-1-amine
CID 57326478

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine?
The IUPAC name of 2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine (CID 66572342) is 2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine?
The canonical SMILES for 2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine is NCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine?
The InChIKey is VEENITYNLWXOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNS/c23-21-13-11-20(12-14-21)22(25-16-15-24,19-9-5-2-6-10-19)17-18-7-3-1-4-8-18/h1-14H,15-17,24H2.
What are the key properties of 2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine?
2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine has a molecular weight of 367.95 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine is sourced from PubChem (CID 66572342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).