3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol

C19H17NO — CID 136773252

IUPAC3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
SMILESC[C@H](/N=C/c1cc2ccccc2cc1O)c1ccccc1
InChIInChI=1S/C19H17NO/c1-14(15-7-3-2-4-8-15)20-13-18-11-16-9-5-6-10-17(16)12-19(18)21/h2-14,21H,1H3/b20-13+/t14-/m0/s1
InChIKeyWGTDUFBRKDUQEG-ZXOFLVKFSA-N
MW275.35 g/mol
LogP4.73
Rot. Bonds3

About 3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol

3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol (PubChem CID 136773252) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
PubChem CID136773252
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
SMILESC[C@H](/N=C/c1cc2ccccc2cc1O)c1ccccc1
InChIInChI=1S/C19H17NO/c1-14(15-7-3-2-4-8-15)20-13-18-11-16-9-5-6-10-17(16)12-19(18)21/h2-14,21H,1H3/b20-13+/t14-/m0/s1
InChIKeyWGTDUFBRKDUQEG-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

palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)
CID 139246617
2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
CID 135682513
3-methanehydrazonoylnaphthalen-2-ol
CID 915671
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol
CID 166437320
3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
CID 177478383
chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol
CID 135405295
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol
CID 135758103
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol (CID 136773252) is 3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol is C[C@H](/N=C/c1cc2ccccc2cc1O)c1ccccc1.
What is the InChIKey of 3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol?
The InChIKey is WGTDUFBRKDUQEG-ZXOFLVKFSA-N. The full InChI is InChI=1S/C19H17NO/c1-14(15-7-3-2-4-8-15)20-13-18-11-16-9-5-6-10-17(16)12-19(18)21/h2-14,21H,1H3/b20-13+/t14-/m0/s1.
What are the key properties of 3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol?
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol 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 3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 136773252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).