1-amino-2-methyl-5-phenoxypentan-2-ol

C12H19NO2 — CID 64814632

IUPAC1-amino-2-methyl-5-phenoxypentan-2-ol
SMILESCC(O)(CN)CCCOc1ccccc1
InChIInChI=1S/C12H19NO2/c1-12(14,10-13)8-5-9-15-11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-10,13H2,1H3
InChIKeyIFMVCEUUJLAVQM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.56
Rot. Bonds6

About 1-amino-2-methyl-5-phenoxypentan-2-ol

1-amino-2-methyl-5-phenoxypentan-2-ol (PubChem CID 64814632) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-amino-2-methyl-5-phenoxypentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-5-phenoxypentan-2-ol
PubChem CID64814632
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-amino-2-methyl-5-phenoxypentan-2-ol
SMILESCC(O)(CN)CCCOc1ccccc1
InChIInChI=1S/C12H19NO2/c1-12(14,10-13)8-5-9-15-11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-10,13H2,1H3
InChIKeyIFMVCEUUJLAVQM-UHFFFAOYSA-N
XLogP1.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.56
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

3-methyl-1-phenoxypentan-3-ol
CID 139819683
1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 64815058
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol
CID 64813377
1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 64819436
2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine
CID 65256122
1-amino-2-methyl-5-(2,3,6-trimethylphenoxy)pentan-2-ol
CID 64813384
1-amino-6-(3,4-difluorophenoxy)-2-methylhexan-2-ol
CID 64814224
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
2-ethyl-2-methyl-5-phenoxypentan-1-ol
CID 66059804
ethyl 2,2-difluoro-5-phenoxypentanoate
CID 163363293

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-5-phenoxypentan-2-ol?
The IUPAC name of 1-amino-2-methyl-5-phenoxypentan-2-ol (CID 64814632) is 1-amino-2-methyl-5-phenoxypentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-5-phenoxypentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-5-phenoxypentan-2-ol is CC(O)(CN)CCCOc1ccccc1.
What is the InChIKey of 1-amino-2-methyl-5-phenoxypentan-2-ol?
The InChIKey is IFMVCEUUJLAVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(14,10-13)8-5-9-15-11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-10,13H2,1H3.
What are the key properties of 1-amino-2-methyl-5-phenoxypentan-2-ol?
1-amino-2-methyl-5-phenoxypentan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-5-phenoxypentan-2-ol is sourced from PubChem (CID 64814632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).