1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol

C15H25NO2 — CID 64813377

IUPAC1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol
SMILESCc1cc(C)cc(OCCCCC(C)(O)CN)c1
InChIInChI=1S/C15H25NO2/c1-12-8-13(2)10-14(9-12)18-7-5-4-6-15(3,17)11-16/h8-10,17H,4-7,11,16H2,1-3H3
InChIKeyQBJGPPVHWVISTF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.56
Rot. Bonds7

About 1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol

1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol (PubChem CID 64813377) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol
PubChem CID64813377
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol
SMILESCc1cc(C)cc(OCCCCC(C)(O)CN)c1
InChIInChI=1S/C15H25NO2/c1-12-8-13(2)10-14(9-12)18-7-5-4-6-15(3,17)11-16/h8-10,17H,4-7,11,16H2,1-3H3
InChIKeyQBJGPPVHWVISTF-UHFFFAOYSA-N
XLogP2.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.56
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

4-(2-Aminopropoxy)-3,5-dimethylphenol
CID 93286
2-[5-(3,5-Dimethylphenoxy)pentylamino]ethanol
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1-(3,5-Dimethylphenoxy)propan-2-amine hydrochloride
CID 17139094
1-Cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride
CID 139451737
2-(3,5-Dimethylphenoxy)ethan-1-amine hydrochloride
CID 2790509
2-Amino-1-(4-(propan-2-yloxy)phenyl)ethan-1-ol
CID 54593897
4-[(2R)-2-aminopropoxy]-3,5-dimethylphenol
CID 71351213
4-[(2S)-2-aminopropoxy]-3,5-dimethylphenol
CID 92288857
2-(3,5-Dimethylphenoxy)ethanamine
CID 1622622
(e)-4-(3-(2-Aminoethoxy)styryl)heptan-4-ol
CID 25101788
1-Amino-3-(3-(cyclohexylmethoxy)phenyl)propan-2-ol
CID 25255404
1-((3-(3-Aminopropyl)phenoxy)methyl)cycloheptanol
CID 25255504

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol (CID 64813377) is 1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol is Cc1cc(C)cc(OCCCCC(C)(O)CN)c1.
What is the InChIKey of 1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol?
The InChIKey is QBJGPPVHWVISTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-8-13(2)10-14(9-12)18-7-5-4-6-15(3,17)11-16/h8-10,17H,4-7,11,16H2,1-3H3.
What are the key properties of 1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol?
1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol is sourced from PubChem (CID 64813377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).