2-amino-2-methyl-6-phenoxyhexan-1-ol

C13H21NO2 — CID 64803768

IUPAC2-amino-2-methyl-6-phenoxyhexan-1-ol
SMILESCC(N)(CO)CCCCOc1ccccc1
InChIInChI=1S/C13H21NO2/c1-13(14,11-15)9-5-6-10-16-12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-11,14H2,1H3
InChIKeySFZNTVYDVWIPBI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds7

About 2-amino-2-methyl-6-phenoxyhexan-1-ol

2-amino-2-methyl-6-phenoxyhexan-1-ol (PubChem CID 64803768) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-2-methyl-6-phenoxyhexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-phenoxyhexan-1-ol
PubChem CID64803768
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-amino-2-methyl-6-phenoxyhexan-1-ol
SMILESCC(N)(CO)CCCCOc1ccccc1
InChIInChI=1S/C13H21NO2/c1-13(14,11-15)9-5-6-10-16-12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-11,14H2,1H3
InChIKeySFZNTVYDVWIPBI-UHFFFAOYSA-N
XLogP1.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-6-phenoxyhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
CID 64802185
2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 64804948
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925
2-amino-2-methyl-4-[3-methyl-5-(4-phenoxybutyl)thiophen-2-yl]butan-1-ol
CID 22728170
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
CID 64802066
2-amino-2-methyl-5-(4-methylsulfonylphenoxy)pentan-1-ol
CID 64807315
2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid
CID 67648973
2-ethyl-2-methyl-5-phenoxypentan-1-ol
CID 66059804

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-phenoxyhexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-phenoxyhexan-1-ol (CID 64803768) is 2-amino-2-methyl-6-phenoxyhexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-phenoxyhexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-phenoxyhexan-1-ol is CC(N)(CO)CCCCOc1ccccc1.
What is the InChIKey of 2-amino-2-methyl-6-phenoxyhexan-1-ol?
The InChIKey is SFZNTVYDVWIPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(14,11-15)9-5-6-10-16-12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-11,14H2,1H3.
What are the key properties of 2-amino-2-methyl-6-phenoxyhexan-1-ol?
2-amino-2-methyl-6-phenoxyhexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-phenoxyhexan-1-ol is sourced from PubChem (CID 64803768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).