2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol

C16H21NO2 — CID 64804569

IUPAC2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
SMILESCC(CC(C)(N)CO)Oc1cccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-12(10-16(2,17)11-18)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,18H,10-11,17H2,1-2H3
InChIKeyJPIHZVRRTKJYTK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.71
Rot. Bonds5

About 2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol

2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol (PubChem CID 64804569) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
PubChem CID64804569
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
SMILESCC(CC(C)(N)CO)Oc1cccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-12(10-16(2,17)11-18)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,18H,10-11,17H2,1-2H3
InChIKeyJPIHZVRRTKJYTK-UHFFFAOYSA-N
XLogP2.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804774
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
2-methyl-2-(methylamino)-4-naphthalen-1-yloxypentanamide
CID 64706246
2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
CID 64802307
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
CID 64802229
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
2-amino-4-(2-fluoro-5-methylphenoxy)-2-methylpentan-1-ol
CID 64855547
3-naphthalen-1-yloxybutan-2-amine
CID 61353767
3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine
CID 63506249
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
naphthalen-1-yl 2-amino-2-methylpropanoate
CID 70178534
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol (CID 64804569) is 2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol is CC(CC(C)(N)CO)Oc1cccc2ccccc12.
What is the InChIKey of 2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol?
The InChIKey is JPIHZVRRTKJYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(10-16(2,17)11-18)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,18H,10-11,17H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol?
2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.71, 5 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-naphthalen-1-yloxypentan-1-ol is sourced from PubChem (CID 64804569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).