1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol

C16H21NO3 — CID 63928570

IUPAC1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
SMILESCOCC(O)COc1c([C@H](C)N)ccc2ccccc12
InChIInChI=1S/C16H21NO3/c1-11(17)14-8-7-12-5-3-4-6-15(12)16(14)20-10-13(18)9-19-2/h3-8,11,13,18H,9-10,17H2,1-2H3/t11-,13?/m0/s1
InChIKeyPYNCDDSAGIXMLM-AMGKYWFPSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol

1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol (PubChem CID 63928570) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
PubChem CID63928570
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
SMILESCOCC(O)COc1c([C@H](C)N)ccc2ccccc12
InChIInChI=1S/C16H21NO3/c1-11(17)14-8-7-12-5-3-4-6-15(12)16(14)20-10-13(18)9-19-2/h3-8,11,13,18H,9-10,17H2,1-2H3/t11-,13?/m0/s1
InChIKeyPYNCDDSAGIXMLM-AMGKYWFPSA-N
XLogP2.25
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-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

3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475
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
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
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
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402
(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine
CID 104863269
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
CID 63368477

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol (CID 63928570) is 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol is COCC(O)COc1c([C@H](C)N)ccc2ccccc12.
What is the InChIKey of 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol?
The InChIKey is PYNCDDSAGIXMLM-AMGKYWFPSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(17)14-8-7-12-5-3-4-6-15(12)16(14)20-10-13(18)9-19-2/h3-8,11,13,18H,9-10,17H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol?
1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol is sourced from PubChem (CID 63928570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).