1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol

C14H23NO2 — CID 64813378

IUPAC1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol
SMILESCc1cc(C)cc(OC(C)CC(C)(O)CN)c1
InChIInChI=1S/C14H23NO2/c1-10-5-11(2)7-13(6-10)17-12(3)8-14(4,16)9-15/h5-7,12,16H,8-9,15H2,1-4H3
InChIKeyLCWAGSCQJRWVMW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.17
Rot. Bonds5

About 1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol

1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol (PubChem CID 64813378) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol
PubChem CID64813378
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol
SMILESCc1cc(C)cc(OC(C)CC(C)(O)CN)c1
InChIInChI=1S/C14H23NO2/c1-10-5-11(2)7-13(6-10)17-12(3)8-14(4,16)9-15/h5-7,12,16H,8-9,15H2,1-4H3
InChIKeyLCWAGSCQJRWVMW-UHFFFAOYSA-N
XLogP2.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-methyl-4-phenoxypentan-2-ol
CID 64814843
1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol
CID 64814421
1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol
CID 64815245
4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64804347
3-(3,5-dimethylphenoxy)butanamide
CID 82077475
1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol
CID 64813377
2-(3,5-dimethylphenoxy)propylhydrazine
CID 82281841
1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol
CID 64813156
1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
CID 64814849
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
methyl 3-(1-aminopropan-2-yloxy)-5-methylbenzoate
CID 135226502

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol (CID 64813378) is 1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol is Cc1cc(C)cc(OC(C)CC(C)(O)CN)c1.
What is the InChIKey of 1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol?
The InChIKey is LCWAGSCQJRWVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-5-11(2)7-13(6-10)17-12(3)8-14(4,16)9-15/h5-7,12,16H,8-9,15H2,1-4H3.
What are the key properties of 1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol?
1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol is sourced from PubChem (CID 64813378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).