N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine

C19H25NS — CID 64614907

IUPACN-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NS/c1-3-14-21-15-19(20-4-2)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19-20H,3-4,14-15H2,1-2H3
InChIKeyUZLLVIHZNWXGRH-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.15
Rot. Bonds8

About N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine

N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine (PubChem CID 64614907) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
PubChem CID64614907
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NS/c1-3-14-21-15-19(20-4-2)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19-20H,3-4,14-15H2,1-2H3
InChIKeyUZLLVIHZNWXGRH-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.15
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-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608
N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine
CID 116660811
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
CID 116544428
3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol
CID 66127937
N-(1-phenyl-2-propylsulfanylethyl)acetamide
CID 141414603
2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64621974
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
N-benzyl-2-butylsulfanyl-1-phenylethanamine
CID 10851719

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine (CID 64614907) is N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine is CCCSCC(NCC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine?
The InChIKey is UZLLVIHZNWXGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-3-14-21-15-19(20-4-2)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19-20H,3-4,14-15H2,1-2H3.
What are the key properties of N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine?
N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine has a molecular weight of 299.48 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine is sourced from PubChem (CID 64614907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).