2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine

C15H23NOS — CID 25256102

IUPAC2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine
SMILESNCCSc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C15H23NOS/c16-9-10-18-15-8-4-7-14(11-15)17-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2
InChIKeyNSGYLAFUEUWQGN-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.70
Rot. Bonds6

About 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine

2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine (PubChem CID 25256102) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine
PubChem CID25256102
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine
SMILESNCCSc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C15H23NOS/c16-9-10-18-15-8-4-7-14(11-15)17-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2
InChIKeyNSGYLAFUEUWQGN-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine 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

(3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-amine
CID 10638052
(3-Phenoxy-propyl)-(2-p-tolylsulfanyl-ethyl)-amine
CID 10542345
2-(3-(Cyclohexylmethoxy)phenylsulfinyl)ethanamine
CID 25256103
2-(3-(Cyclohexylmethoxy)phenylsulfonyl)ethanamine
CID 25256104
Cambridge id 5343258
CID 2842476
2-((3-Methoxyphenyl)thio)ethanamine
CID 24697918
(Z)-4-((2-(benzyloxy)phenyl)sulfonyl)-3-fluorobut-2-en-1-amine
CID 146317796
2-[(4-Butoxybenzyl)sulfanyl]ethanamine
CID 2057578
2-{[4-(Methylethoxy)phenyl]methylthio}ethylamine
CID 3142348
(E)-4-(4-benzylsulfonylphenoxy)-3-fluorobut-2-en-1-amine
CID 42623271
4-[3-[(3-Fluorophenyl)methoxy]phenyl]sulfanylpiperidine
CID 59862383
(Z)-4-(4-benzylsulfonylphenoxy)-3-fluorobut-2-en-1-amine
CID 68450757

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine?
The IUPAC name of 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine (CID 25256102) is 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine.
What is the SMILES notation for 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine?
The canonical SMILES for 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine is NCCSc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine?
The InChIKey is NSGYLAFUEUWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c16-9-10-18-15-8-4-7-14(11-15)17-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2.
What are the key properties of 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine?
2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethoxy)phenyl]sulfanylethanamine is sourced from PubChem (CID 25256102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).