2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine

C23H25NS — CID 71583036

IUPAC2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine
SMILESCc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C23H25NS/c1-18-13-14-22(17-19(18)2)23(25-16-15-24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17H,15-16,24H2,1-2H3
InChIKeyYHBSZKUCSQEUNF-UHFFFAOYSA-N
MW347.53 g/mol
LogP5.29
Rot. Bonds6

About 2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine

2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine (PubChem CID 71583036) has the molecular formula C23H25NS and a molecular weight of 347.53 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine
PubChem CID71583036
Molecular FormulaC23H25NS
Molecular Weight347.53 g/mol
Exact Mass347.17
IUPAC Name2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine
SMILESCc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C23H25NS/c1-18-13-14-22(17-19(18)2)23(25-16-15-24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17H,15-16,24H2,1-2H3
InChIKeyYHBSZKUCSQEUNF-UHFFFAOYSA-N
XLogP5.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 55.29
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

2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine
CID 71339520
3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide
CID 71717524
2-amino-3-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 71664710
5-tritylsulfanylpentan-1-amine
CID 71533766
2-tritylsulfanylethanethiol
CID 59035458
4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene
CID 71583153
1-ethyl-3-(2-tritylsulfanylethyl)benzene
CID 130222223
1,13-bis(tritylsulfanyl)tridecan-7-amine
CID 138687409
2-(2-tritylsulfanylethylamino)acetamide
CID 140602369
2-(3,4-dimethylphenyl)-2-hydroxy-2-phenylacetamide
CID 139993842
2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 82507274
1-tritylsulfanyldodecan-6-amine
CID 23042213

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine?
The IUPAC name of 2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine (CID 71583036) is 2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine is Cc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine?
The InChIKey is YHBSZKUCSQEUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NS/c1-18-13-14-22(17-19(18)2)23(25-16-15-24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17H,15-16,24H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine?
2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine has a molecular weight of 347.53 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine is sourced from PubChem (CID 71583036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).