2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol

C18H29NO2 — CID 60879504

IUPAC2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
SMILESCCCNCc1cc(C)c(OC2CCCCC2O)c(C)c1
InChIInChI=1S/C18H29NO2/c1-4-9-19-12-15-10-13(2)18(14(3)11-15)21-17-8-6-5-7-16(17)20/h10-11,16-17,19-20H,4-9,12H2,1-3H3
InChIKeyZYFUUXUPSOHVLQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.49
Rot. Bonds6

About 2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol

2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol (PubChem CID 60879504) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
PubChem CID60879504
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
SMILESCCCNCc1cc(C)c(OC2CCCCC2O)c(C)c1
InChIInChI=1S/C18H29NO2/c1-4-9-19-12-15-10-13(2)18(14(3)11-15)21-17-8-6-5-7-16(17)20/h10-11,16-17,19-20H,4-9,12H2,1-3H3
InChIKeyZYFUUXUPSOHVLQ-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol
CID 60879313
2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 79882722
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
N-[(3,5-dibromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 107742316
2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 107695812
2-[4-bromo-2-(propylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60881988
2-[4-bromo-2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]cyclopentan-1-ol
CID 115961778
N-[[4-(cyclopropylmethoxymethoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 106929103
N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide
CID 43276771
2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol
CID 102632987
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 112620098
trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol
CID 102735335

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol (CID 60879504) is 2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol is CCCNCc1cc(C)c(OC2CCCCC2O)c(C)c1.
What is the InChIKey of 2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
The InChIKey is ZYFUUXUPSOHVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-9-19-12-15-10-13(2)18(14(3)11-15)21-17-8-6-5-7-16(17)20/h10-11,16-17,19-20H,4-9,12H2,1-3H3.
What are the key properties of 2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 60879504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).