N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine

C23H25NS — CID 20573835

IUPACN-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine
SMILESCCNCCC(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C23H25NS/c1-2-24-18-17-23(19-9-5-3-6-10-19)20-13-15-22(16-14-20)25-21-11-7-4-8-12-21/h3-16,23-24H,2,17-18H2,1H3
InChIKeyAPYVCFHVLNGPJW-UHFFFAOYSA-N
MW347.53 g/mol
LogP5.97
Rot. Bonds8

About N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine

N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine (PubChem CID 20573835) has the molecular formula C23H25NS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine
PubChem CID20573835
Molecular FormulaC23H25NS
Molecular Weight347.53 g/mol
Exact Mass347.17
IUPAC NameN-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine
SMILESCCNCCC(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C23H25NS/c1-2-24-18-17-23(19-9-5-3-6-10-19)20-13-15-22(16-14-20)25-21-11-7-4-8-12-21/h3-16,23-24H,2,17-18H2,1H3
InChIKeyAPYVCFHVLNGPJW-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 55.97
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-(3,3-diphenylpropyl)octadecan-1-amine
CID 57060547
(1R,5S)-6,6-dimethylbicyclo[3.1.1]heptane;N'-(3,3-diphenylpropyl)-N-ethylethane-1,2-diamine
CID 90744195
(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
N-(3,3-diphenylpropyl)octadecan-1-amine;hydrate
CID 173442181
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
4-(ethylamino)-1-phenylbutan-1-ol
CID 23009158
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
N-ethyl-3-[4-(3-methylbutylsulfanyl)phenyl]butan-1-amine
CID 20573123
N-[(4-phenylsulfanylphenyl)methyl]propan-1-amine
CID 19069438
N-[(2-phenylsulfanylphenyl)methyl]ethanamine
CID 21402704
1-(3,3-diphenylpropyl)-2-methylhydrazine
CID 143031126
ethanethiol;phenylsulfanylbenzene
CID 174826904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine (CID 20573835) is N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine is CCNCCC(c1ccccc1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine?
The InChIKey is APYVCFHVLNGPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NS/c1-2-24-18-17-23(19-9-5-3-6-10-19)20-13-15-22(16-14-20)25-21-11-7-4-8-12-21/h3-16,23-24H,2,17-18H2,1H3.
What are the key properties of N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine?
N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine has a molecular weight of 347.53 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 20573835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).