2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol

C19H17NO — CID 136658907

IUPAC2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol
SMILESC[C@H](/N=C/c1ccccc1O)c1cccc2ccccc12
InChIInChI=1S/C19H17NO/c1-14(20-13-16-8-3-5-12-19(16)21)17-11-6-9-15-7-2-4-10-18(15)17/h2-14,21H,1H3/b20-13+/t14-/m0/s1
InChIKeyIBUXKUNTWDRZOL-ZXOFLVKFSA-N
MW275.35 g/mol
LogP4.73
Rot. Bonds3

About 2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol

2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol (PubChem CID 136658907) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol
PubChem CID136658907
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol
SMILESC[C@H](/N=C/c1ccccc1O)c1cccc2ccccc12
InChIInChI=1S/C19H17NO/c1-14(20-13-16-8-3-5-12-19(16)21)17-11-6-9-15-7-2-4-10-18(15)17/h2-14,21H,1H3/b20-13+/t14-/m0/s1
InChIKeyIBUXKUNTWDRZOL-ZXOFLVKFSA-N
XLogP4.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyliminomethyl-naphthalen-2-ol
CID 598370
1-(Anilinomethylidene)-2-naphthalenone
CID 269969
2-Naphthalenol, 1-[[(phenylmethyl)imino]methyl]-
CID 511504
2-(Naphthalen-1-yliminomethyl)-phenol
CID 690983
1-{(E)-[(4-vinylphenyl)imino]methyl}-2-naphthol
CID 4445693
Phenol, 4-(2-naphthalenylmethyleneamino)-
CID 619026
1-((Benzylidene-amino)-phenyl-methyl)-naphthalen-2-OL
CID 277398
1-(O-Tolyliminomethyl)-2-naphthol
CID 548604
1-((((2-Hydroxy-1-naphthyl)methylene)amino)methyl)-2-naphthol
CID 241061
(3R)-1,3-dimethyl-5-(1-naphthyl)-3,4-dihydroisoquinolin-8-ol
CID 136002509
(3R)-1,3-dimethyl-5-(2-naphthyl)-3,4-dihydroisoquinolin-8-ol
CID 136032579
5-(4-Hydroxy-1-naphthyl)-3,4-dihydroisoquinolin-8-ol
CID 136203744

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol (CID 136658907) is 2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol is C[C@H](/N=C/c1ccccc1O)c1cccc2ccccc12.
What is the InChIKey of 2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol?
The InChIKey is IBUXKUNTWDRZOL-ZXOFLVKFSA-N. The full InChI is InChI=1S/C19H17NO/c1-14(20-13-16-8-3-5-12-19(16)21)17-11-6-9-15-7-2-4-10-18(15)17/h2-14,21H,1H3/b20-13+/t14-/m0/s1.
What are the key properties of 2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol?
2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol has a molecular weight of 275.35 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-naphthalen-1-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 136658907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).