2-(benzylamino)-1-naphthalen-1-ylethanol

C19H19NO — CID 126801118

IUPAC2-(benzylamino)-1-naphthalen-1-ylethanol
SMILESOC(CNCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H19NO/c21-19(14-20-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19-21H,13-14H2
InChIKeyUSQHVLAOGDEHOB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.66
Rot. Bonds5

About 2-(benzylamino)-1-naphthalen-1-ylethanol

2-(benzylamino)-1-naphthalen-1-ylethanol (PubChem CID 126801118) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(benzylamino)-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-naphthalen-1-ylethanol
PubChem CID126801118
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(benzylamino)-1-naphthalen-1-ylethanol
SMILESOC(CNCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H19NO/c21-19(14-20-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19-21H,13-14H2
InChIKeyUSQHVLAOGDEHOB-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
CID 95367211
2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol
CID 177223484
(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94190174
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(4-phenylphenyl)acetamide
CID 95367196
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-(benzylamino)-1-(4-phenylphenyl)ethanol
CID 12526842
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-naphthalen-1-ylethanol?
The IUPAC name of 2-(benzylamino)-1-naphthalen-1-ylethanol (CID 126801118) is 2-(benzylamino)-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-(benzylamino)-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-(benzylamino)-1-naphthalen-1-ylethanol is OC(CNCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-(benzylamino)-1-naphthalen-1-ylethanol?
The InChIKey is USQHVLAOGDEHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c21-19(14-20-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19-21H,13-14H2.
What are the key properties of 2-(benzylamino)-1-naphthalen-1-ylethanol?
2-(benzylamino)-1-naphthalen-1-ylethanol has a molecular weight of 277.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-naphthalen-1-ylethanol is sourced from PubChem (CID 126801118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).