trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol

C15H23NO2 — CID 15891180

IUPACtrans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
SMILESCOc1ccc(N[C@@H]2CCCCCC[C@H]2O)cc1
InChIInChI=1S/C15H23NO2/c1-18-13-10-8-12(9-11-13)16-14-6-4-2-3-5-7-15(14)17/h8-11,14-17H,2-7H2,1H3/t14-,15-/m1/s1
InChIKeyUMENYQTVBORGGM-HUUCEWRRSA-N
MW249.35 g/mol
LogP3.19
Rot. Bonds3

About trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol

trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol (PubChem CID 15891180) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
PubChem CID15891180
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametrans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
SMILESCOc1ccc(N[C@@H]2CCCCCC[C@H]2O)cc1
InChIInChI=1S/C15H23NO2/c1-18-13-10-8-12(9-11-13)16-14-6-4-2-3-5-7-15(14)17/h8-11,14-17H,2-7H2,1H3/t14-,15-/m1/s1
InChIKeyUMENYQTVBORGGM-HUUCEWRRSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyanilino)cyclohexan-1-ol
CID 60883757
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
2-(4-methoxyanilino)cycloheptane-1-carbonitrile
CID 55114320
N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline
CID 126847817
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
[(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone
CID 125474268
4-(4-methoxyanilino)oxolan-3-ol
CID 60902076
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol (CID 15891180) is trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol is COc1ccc(N[C@@H]2CCCCCC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol?
The InChIKey is UMENYQTVBORGGM-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23NO2/c1-18-13-10-8-12(9-11-13)16-14-6-4-2-3-5-7-15(14)17/h8-11,14-17H,2-7H2,1H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol?
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol is sourced from PubChem (CID 15891180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).