(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine

C19H23NOS — CID 10448310

IUPAC(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine
SMILESN[C@@H]1C[C@@H](OCc2ccccc2)CC[C@H]1Sc1ccccc1
InChIInChI=1S/C19H23NOS/c20-18-13-16(21-14-15-7-3-1-4-8-15)11-12-19(18)22-17-9-5-2-6-10-17/h1-10,16,18-19H,11-14,20H2/t16-,18+,19+/m0/s1
InChIKeyGZLMIDQXSWBNBS-QXAKKESOSA-N
MW313.47 g/mol
LogP4.24
Rot. Bonds5

About (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine

(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine (PubChem CID 10448310) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine
PubChem CID10448310
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine
SMILESN[C@@H]1C[C@@H](OCc2ccccc2)CC[C@H]1Sc1ccccc1
InChIInChI=1S/C19H23NOS/c20-18-13-16(21-14-15-7-3-1-4-8-15)11-12-19(18)22-17-9-5-2-6-10-17/h1-10,16,18-19H,11-14,20H2/t16-,18+,19+/m0/s1
InChIKeyGZLMIDQXSWBNBS-QXAKKESOSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine 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

(1R,2R,5S)-2-chloro-5-phenylmethoxycyclohexan-1-amine
CID 10354246
3-phenylmethoxycyclopentan-1-amine
CID 79421215
trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine
CID 101053357
(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine
CID 154874589
6,15,24,33-tetrakis(phenylmethoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173466945
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine
CID 170906435
(4-ethynylcyclohexyl)oxymethylbenzene
CID 168926601
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
azane;cyclopentyloxymethylbenzene
CID 69411306
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine?
The IUPAC name of (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine (CID 10448310) is (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine.
What is the SMILES notation for (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine?
The canonical SMILES for (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine is N[C@@H]1C[C@@H](OCc2ccccc2)CC[C@H]1Sc1ccccc1.
What is the InChIKey of (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine?
The InChIKey is GZLMIDQXSWBNBS-QXAKKESOSA-N. The full InChI is InChI=1S/C19H23NOS/c20-18-13-16(21-14-15-7-3-1-4-8-15)11-12-19(18)22-17-9-5-2-6-10-17/h1-10,16,18-19H,11-14,20H2/t16-,18+,19+/m0/s1.
What are the key properties of (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine?
(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine has a molecular weight of 313.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 10448310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).