2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine

C23H25NS — CID 57326478

IUPAC2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine
SMILESCCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H25NS/c1-2-19-10-9-15-22(18-19)23(25-17-16-24,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,2,16-17,24H2,1H3
InChIKeyUBXQVTPWWLPNGM-UHFFFAOYSA-N
MW347.53 g/mol
LogP5.23
Rot. Bonds7

About 2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine

2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine (PubChem CID 57326478) has the molecular formula C23H25NS and a molecular weight of 347.53 g/mol. Its IUPAC name is 2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine
PubChem CID57326478
Molecular FormulaC23H25NS
Molecular Weight347.53 g/mol
Exact Mass347.17
IUPAC Name2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine
SMILESCCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H25NS/c1-2-19-10-9-15-22(18-19)23(25-17-16-24,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,2,16-17,24H2,1H3
InChIKeyUBXQVTPWWLPNGM-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

S-Tritylcysteamine
CID 262764
2-(Benzhydrylthio)ethanamine
CID 279413
Ethanamine, 2-[(diphenylmethyl)thio]-N,N-dimethyl-
CID 3028320
N-(2-(benzhydrylthio)ethyl)-3-phenylpropan-1-amine
CID 9975860
2-(Diphenyl(P-Tolyl)Methylthio)Ethanamine
CID 57380880
2-(Phenyldip-Tolylmethylthio)Ethanamine
CID 71719943
N-(2-(benzhydrylthio)ethyl)butan-1-amine
CID 76332746
2-(Diphenylmethanesulfinyl)ethan-1-amine
CID 13267785
1,1',1''-[(Ethylsulfanyl)methanetriyl]tribenzene
CID 238259
3-(Tritylthio)propylamine
CID 24806228
4-[(Triphenylmethyl)sulfanyl]butan-1-amine
CID 24806229
2-[(3-Fluorophenyl)-diphenylmethyl]sulfanylethanamine
CID 57326384

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine?
The IUPAC name of 2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine (CID 57326478) is 2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine.
What is the SMILES notation for 2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine?
The canonical SMILES for 2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine is CCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine?
The InChIKey is UBXQVTPWWLPNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NS/c1-2-19-10-9-15-22(18-19)23(25-17-16-24,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,2,16-17,24H2,1H3.
What are the key properties of 2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine?
2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine has a molecular weight of 347.53 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylphenyl)-diphenylmethyl]sulfanylethanamine is sourced from PubChem (CID 57326478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).