(1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol

C13H17NO2 — CID 11241449

IUPAC(1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol
SMILESCOc1ccccc1N[C@@H]1CC=CC[C@H]1O
InChIInChI=1S/C13H17NO2/c1-16-13-9-5-3-7-11(13)14-10-6-2-4-8-12(10)15/h2-5,7,9-10,12,14-15H,6,8H2,1H3/t10-,12-/m1/s1
InChIKeyKLVADJXOACALMG-ZYHUDNBSSA-N
MW219.28 g/mol
LogP2.19
Rot. Bonds3

About (1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol

(1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol (PubChem CID 11241449) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol
PubChem CID11241449
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol
SMILESCOc1ccccc1N[C@@H]1CC=CC[C@H]1O
InChIInChI=1S/C13H17NO2/c1-16-13-9-5-3-7-11(13)14-10-6-2-4-8-12(10)15/h2-5,7,9-10,12,14-15H,6,8H2,1H3/t10-,12-/m1/s1
InChIKeyKLVADJXOACALMG-ZYHUDNBSSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-4-(2-methoxyanilino)oxolan-3-ol
CID 93383823
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
N-(2-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121544
4-(2-methoxyanilino)cyclohexan-1-one
CID 117027862
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 90237422
N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
(2R)-N-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 31196228
4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2-methoxyphenyl)benzamide
CID 43859477
(1S,2S)-1-N-(2-methoxyphenyl)-2-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
CID 1069252
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol?
The IUPAC name of (1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol (CID 11241449) is (1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol.
What is the SMILES notation for (1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol?
The canonical SMILES for (1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol is COc1ccccc1N[C@@H]1CC=CC[C@H]1O.
What is the InChIKey of (1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol?
The InChIKey is KLVADJXOACALMG-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13-9-5-3-7-11(13)14-10-6-2-4-8-12(10)15/h2-5,7,9-10,12,14-15H,6,8H2,1H3/t10-,12-/m1/s1.
What are the key properties of (1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol?
(1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol has a molecular weight of 219.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol is sourced from PubChem (CID 11241449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).