1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride

C13H16ClNO2 — CID 119057189

IUPAC1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
SMILESCl.NCC(O)COc1ccc2ccccc2c1
InChIInChI=1S/C13H15NO2.ClH/c14-8-12(15)9-16-13-6-5-10-3-1-2-4-11(10)7-13;/h1-7,12,15H,8-9,14H2;1H
InChIKeyMBNXZYKAGRRTDI-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.96
Rot. Bonds4

About 1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride

1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride (PubChem CID 119057189) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
PubChem CID119057189
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
SMILESCl.NCC(O)COc1ccc2ccccc2c1
InChIInChI=1S/C13H15NO2.ClH/c14-8-12(15)9-16-13-6-5-10-3-1-2-4-11(10)7-13;/h1-7,12,15H,8-9,14H2;1H
InChIKeyMBNXZYKAGRRTDI-UHFFFAOYSA-N
XLogP1.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
CID 7452468
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-(dipropylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2834359
1-amino-3-(3-phenoxyphenoxy)propan-2-ol
CID 18593122
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
CID 58021551
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
3-hydroxy-4-naphthalen-2-yloxybutane-1-sulfonic acid
CID 90272213

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride (CID 119057189) is 1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride is Cl.NCC(O)COc1ccc2ccccc2c1.
What is the InChIKey of 1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
The InChIKey is MBNXZYKAGRRTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.ClH/c14-8-12(15)9-16-13-6-5-10-3-1-2-4-11(10)7-13;/h1-7,12,15H,8-9,14H2;1H.
What are the key properties of 1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 119057189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).