2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol

C15H25NO2 — CID 64802185

IUPAC2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
SMILESCCc1cccc(OCCCCC(C)(N)CO)c1
InChIInChI=1S/C15H25NO2/c1-3-13-7-6-8-14(11-13)18-10-5-4-9-15(2,16)12-17/h6-8,11,17H,3-5,9-10,12,16H2,1-2H3
InChIKeyCIOFHGAABRNLRW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.51
Rot. Bonds8

About 2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol

2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol (PubChem CID 64802185) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
PubChem CID64802185
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
SMILESCCc1cccc(OCCCCC(C)(N)CO)c1
InChIInChI=1S/C15H25NO2/c1-3-13-7-6-8-14(11-13)18-10-5-4-9-15(2,16)12-17/h6-8,11,17H,3-5,9-10,12,16H2,1-2H3
InChIKeyCIOFHGAABRNLRW-UHFFFAOYSA-N
XLogP2.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.51
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-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
5-(3-ethylphenoxy)-2,2-dimethylpentanethioamide
CID 65259910
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
4-(3-ethylphenoxy)butanamide
CID 82040637
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925
4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062790
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
CID 54965601

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol (CID 64802185) is 2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol is CCc1cccc(OCCCCC(C)(N)CO)c1.
What is the InChIKey of 2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol?
The InChIKey is CIOFHGAABRNLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-13-7-6-8-14(11-13)18-10-5-4-9-15(2,16)12-17/h6-8,11,17H,3-5,9-10,12,16H2,1-2H3.
What are the key properties of 2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol?
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol is sourced from PubChem (CID 64802185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).