N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine

C23H25NS — CID 10089066

IUPACN-(2-benzhydrylsulfanylethyl)-2-phenylethanamine
SMILESc1ccc(CCNCCSC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NS/c1-4-10-20(11-5-1)16-17-24-18-19-25-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2
InChIKeyPAQOVDBBSLCHKA-UHFFFAOYSA-N
MW347.53 g/mol
LogP5.34
Rot. Bonds9

About N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine

N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine (PubChem CID 10089066) has the molecular formula C23H25NS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine.

Molecular Properties

Compound NameN-(2-benzhydrylsulfanylethyl)-2-phenylethanamine
PubChem CID10089066
Molecular FormulaC23H25NS
Molecular Weight347.53 g/mol
Exact Mass347.17
IUPAC NameN-(2-benzhydrylsulfanylethyl)-2-phenylethanamine
SMILESc1ccc(CCNCCSC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NS/c1-4-10-20(11-5-1)16-17-24-18-19-25-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2
InChIKeyPAQOVDBBSLCHKA-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine
CID 86174012
N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine
CID 86174014
(1R)-1-phenyl-3-(2-phenylethylamino)propan-1-ol
CID 94271411
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine
CID 90389497
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N-(2-phenylethyl)undecan-1-amine
CID 141108004
2-phenyl-3-(2-phenylethylamino)propanoic acid
CID 64564787
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095

Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine?
The IUPAC name of N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine (CID 10089066) is N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine.
What is the SMILES notation for N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine?
The canonical SMILES for N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine is c1ccc(CCNCCSC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine?
The InChIKey is PAQOVDBBSLCHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NS/c1-4-10-20(11-5-1)16-17-24-18-19-25-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2.
What are the key properties of N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine?
N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine has a molecular weight of 347.53 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine is sourced from PubChem (CID 10089066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).