3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine

C24H27NS — CID 86174012

IUPAC3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine
SMILESc1ccc(CCNCCCSC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NS/c1-4-11-21(12-5-1)17-19-25-18-10-20-26-24(22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24-25H,10,17-20H2
InChIKeyGNGFVPYNKIIORP-UHFFFAOYSA-N
MW361.55 g/mol
LogP5.73
Rot. Bonds10

About 3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine

3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine (PubChem CID 86174012) has the molecular formula C24H27NS and a molecular weight of 361.55 g/mol. Its IUPAC name is 3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine
PubChem CID86174012
Molecular FormulaC24H27NS
Molecular Weight361.55 g/mol
Exact Mass361.19
IUPAC Name3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine
SMILESc1ccc(CCNCCCSC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NS/c1-4-11-21(12-5-1)17-19-25-18-10-20-26-24(22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24-25H,10,17-20H2
InChIKeyGNGFVPYNKIIORP-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.55
LogP ≤ 55.73
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

N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine
CID 86174014
N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine
CID 10089066
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
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N-(2-phenylethyl)undecan-1-amine
CID 141108004
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
(1R)-1-phenyl-3-(2-phenylethylamino)propan-1-ol
CID 94271411
1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine
CID 90389497
2-[6-(2-phenylethylamino)hexylamino]ethanol
CID 22104030

Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine (CID 86174012) is 3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine is c1ccc(CCNCCCSC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine?
The InChIKey is GNGFVPYNKIIORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NS/c1-4-11-21(12-5-1)17-19-25-18-10-20-26-24(22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24-25H,10,17-20H2.
What are the key properties of 3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine?
3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine has a molecular weight of 361.55 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 86174012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).