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

C14H23NO2 — CID 64802229

IUPAC2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
SMILESCc1ccc(OC(C)CC(C)(N)CO)c(C)c1
InChIInChI=1S/C14H23NO2/c1-10-5-6-13(11(2)7-10)17-12(3)8-14(4,15)9-16/h5-7,12,16H,8-9,15H2,1-4H3
InChIKeyIBBIRCZZVDDZGI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.17
Rot. Bonds5

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

2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol (PubChem CID 64802229) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
PubChem CID64802229
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
SMILESCc1ccc(OC(C)CC(C)(N)CO)c(C)c1
InChIInChI=1S/C14H23NO2/c1-10-5-6-13(11(2)7-10)17-12(3)8-14(4,15)9-16/h5-7,12,16H,8-9,15H2,1-4H3
InChIKeyIBBIRCZZVDDZGI-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

2-amino-4-(2-fluoro-5-methylphenoxy)-2-methylpentan-1-ol
CID 64855547
2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64810374
2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
CID 64804569
2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804774
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
CID 64802307
4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine
CID 64707879
2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol
CID 64811877
2-amino-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-ol
CID 64810416

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol (CID 64802229) is 2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol is Cc1ccc(OC(C)CC(C)(N)CO)c(C)c1.
What is the InChIKey of 2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol?
The InChIKey is IBBIRCZZVDDZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-5-6-13(11(2)7-10)17-12(3)8-14(4,15)9-16/h5-7,12,16H,8-9,15H2,1-4H3.
What are the key properties of 2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol?
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-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 2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol is sourced from PubChem (CID 64802229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).