2-(2-chlorophenyl)sulfanyl-2-phenylethanamine

C14H14ClNS — CID 55017174

IUPAC2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
SMILESNCC(Sc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C14H14ClNS/c15-12-8-4-5-9-13(12)17-14(10-16)11-6-2-1-3-7-11/h1-9,14H,10,16H2
InChIKeyRBXWUDKMVVQNIV-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.13
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-2-phenylethanamine

2-(2-chlorophenyl)sulfanyl-2-phenylethanamine (PubChem CID 55017174) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
PubChem CID55017174
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
SMILESNCC(Sc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C14H14ClNS/c15-12-8-4-5-9-13(12)17-14(10-16)11-6-2-1-3-7-11/h1-9,14H,10,16H2
InChIKeyRBXWUDKMVVQNIV-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol
CID 142895184
3-(2-chlorophenyl)sulfanyl-3-phenylpropanoic acid
CID 63098049
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 159931174
2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
CID 55017309
2-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014728
2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
(2R)-2-(2,6-dichlorophenyl)-2-phenylethanamine
CID 125466281
2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014987
2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine
CID 82931377
2-(1H-imidazol-2-ylsulfanyl)-2-phenylethanamine
CID 107779655

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-2-phenylethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-2-phenylethanamine (CID 55017174) is 2-(2-chlorophenyl)sulfanyl-2-phenylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-2-phenylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-2-phenylethanamine is NCC(Sc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-2-phenylethanamine?
The InChIKey is RBXWUDKMVVQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c15-12-8-4-5-9-13(12)17-14(10-16)11-6-2-1-3-7-11/h1-9,14H,10,16H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-2-phenylethanamine?
2-(2-chlorophenyl)sulfanyl-2-phenylethanamine has a molecular weight of 263.79 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-2-phenylethanamine is sourced from PubChem (CID 55017174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).