3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol

C16H21NO2 — CID 104881475

IUPAC3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
SMILESCC(CO)COc1c([C@@H](C)N)ccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-11(9-18)10-19-16-14(12(2)17)8-7-13-5-3-4-6-15(13)16/h3-8,11-12,18H,9-10,17H2,1-2H3/t11?,12-/m1/s1
InChIKeyRZLIQHGMSQUSIM-PIJUOVFKSA-N
MW259.35 g/mol
LogP2.87
Rot. Bonds5

About 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol

3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol (PubChem CID 104881475) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
PubChem CID104881475
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
SMILESCC(CO)COc1c([C@@H](C)N)ccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-11(9-18)10-19-16-14(12(2)17)8-7-13-5-3-4-6-15(13)16/h3-8,11-12,18H,9-10,17H2,1-2H3/t11?,12-/m1/s1
InChIKeyRZLIQHGMSQUSIM-PIJUOVFKSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 78954047
1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
CID 63928570
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
CID 63365584
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
CID 63368477
1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine
CID 60889205
(1R)-1-(1-but-3-enoxynaphthalen-2-yl)ethanamine
CID 78967478
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 78930722
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N-cyclopropylacetamide
CID 63368493
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol?
The IUPAC name of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol (CID 104881475) is 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol is CC(CO)COc1c([C@@H](C)N)ccc2ccccc12.
What is the InChIKey of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol?
The InChIKey is RZLIQHGMSQUSIM-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(9-18)10-19-16-14(12(2)17)8-7-13-5-3-4-6-15(13)16/h3-8,11-12,18H,9-10,17H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol?
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol is sourced from PubChem (CID 104881475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).