1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine

C17H19NOS — CID 114519481

IUPAC1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine
SMILESNC(CSc1ccccc1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H19NOS/c18-17(12-20-16-4-2-1-3-5-16)13-6-8-14(9-7-13)19-15-10-11-15/h1-9,15,17H,10-12,18H2
InChIKeyOIBYINXOZKAUMM-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.02
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine

1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine (PubChem CID 114519481) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine
PubChem CID114519481
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine
SMILESNC(CSc1ccccc1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H19NOS/c18-17(12-20-16-4-2-1-3-5-16)13-6-8-14(9-7-13)19-15-10-11-15/h1-9,15,17H,10-12,18H2
InChIKeyOIBYINXOZKAUMM-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64621935
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051483
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
CID 114519451
1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine
CID 114519844
1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 114519209
(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
CID 1382002
4-(2-amino-2-phenylethyl)sulfanylphenol
CID 55241313
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
4-amino-4-[4-(oxan-4-yloxy)phenyl]butanoic acid
CID 117447904

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine (CID 114519481) is 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine is NC(CSc1ccccc1)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine?
The InChIKey is OIBYINXOZKAUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c18-17(12-20-16-4-2-1-3-5-16)13-6-8-14(9-7-13)19-15-10-11-15/h1-9,15,17H,10-12,18H2.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine?
1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine is sourced from PubChem (CID 114519481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).