2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol

C15H25NO2 — CID 64804774

IUPAC2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
SMILESCC(CC(C)(N)CO)Oc1ccccc1C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)13-7-5-6-8-14(13)18-12(3)9-15(4,16)10-17/h5-8,11-12,17H,9-10,16H2,1-4H3
InChIKeyKRYAKYXKRHYJQE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.68
Rot. Bonds6

About 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol

2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol (PubChem CID 64804774) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
PubChem CID64804774
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
SMILESCC(CC(C)(N)CO)Oc1ccccc1C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)13-7-5-6-8-14(13)18-12(3)9-15(4,16)10-17/h5-8,11-12,17H,9-10,16H2,1-4H3
InChIKeyKRYAKYXKRHYJQE-UHFFFAOYSA-N
XLogP2.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
CID 64804569
methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
CID 64706465
2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol
CID 64811877
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
CID 64802229
3-amino-2-(2-propan-2-ylphenoxy)butan-1-ol
CID 64898304
2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
CID 64802307
2-amino-4-(2-fluoro-5-methylphenoxy)-2-methylpentan-1-ol
CID 64855547
4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804980
1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
CID 64814849
2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane
CID 87559947
2-amino-4-(2-butan-2-ylphenoxy)-2-methylbutan-1-ol
CID 64804981
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
CID 62572033

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol (CID 64804774) is 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol is CC(CC(C)(N)CO)Oc1ccccc1C(C)C.
What is the InChIKey of 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol?
The InChIKey is KRYAKYXKRHYJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)13-7-5-6-8-14(13)18-12(3)9-15(4,16)10-17/h5-8,11-12,17H,9-10,16H2,1-4H3.
What are the key properties of 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol?
2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol is sourced from PubChem (CID 64804774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).