1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride

C12H15ClN2O — CID 171232039

IUPAC1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
SMILESCl.NC[C@H](N)c1c(O)ccc2ccccc12
InChIInChI=1S/C12H14N2O.ClH/c13-7-10(14)12-9-4-2-1-3-8(9)5-6-11(12)15;/h1-6,10,15H,7,13-14H2;1H/t10-;/m0./s1
InChIKeyNYXYPOHYOXRWIU-PPHPATTJSA-N
MW238.72 g/mol
LogP1.93
Rot. Bonds2

About 1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride

1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride (PubChem CID 171232039) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
PubChem CID171232039
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
SMILESCl.NC[C@H](N)c1c(O)ccc2ccccc12
InChIInChI=1S/C12H14N2O.ClH/c13-7-10(14)12-9-4-2-1-3-8(9)5-6-11(12)15;/h1-6,10,15H,7,13-14H2;1H/t10-;/m0./s1
InChIKeyNYXYPOHYOXRWIU-PPHPATTJSA-N
XLogP1.93
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
CID 171212454
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171232050
3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
CID 170875681
1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171264640
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
1-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171243784
1-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171250513
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride (CID 171232039) is 1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride is Cl.NC[C@H](N)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride?
The InChIKey is NYXYPOHYOXRWIU-PPHPATTJSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c13-7-10(14)12-9-4-2-1-3-8(9)5-6-11(12)15;/h1-6,10,15H,7,13-14H2;1H/t10-;/m0./s1.
What are the key properties of 1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride?
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 171232039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).