1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol

C19H19NO — CID 60912931

IUPAC1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
SMILESCc1ccccc1CNCc1c(O)ccc2ccccc12
InChIInChI=1S/C19H19NO/c1-14-6-2-3-8-16(14)12-20-13-18-17-9-5-4-7-15(17)10-11-19(18)21/h2-11,20-21H,12-13H2,1H3
InChIKeyFJGKDTFMDIODQI-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.14
Rot. Bonds4

About 1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol

1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol (PubChem CID 60912931) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
PubChem CID60912931
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
SMILESCc1ccccc1CNCc1c(O)ccc2ccccc12
InChIInChI=1S/C19H19NO/c1-14-6-2-3-8-16(14)12-20-13-18-17-9-5-4-7-15(17)10-11-19(18)21/h2-11,20-21H,12-13H2,1H3
InChIKeyFJGKDTFMDIODQI-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
CID 78916549
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
6-methyl-2-[[(2-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928537
1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol
CID 66257993
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
CID 116642987
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
1-[[(2-hydroxy-3,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111119224
2-[(2-hydroxynaphthalen-1-yl)methylamino]-N,N-dimethylacetamide
CID 43310908
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol (CID 60912931) is 1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol is Cc1ccccc1CNCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol?
The InChIKey is FJGKDTFMDIODQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-6-2-3-8-16(14)12-20-13-18-17-9-5-4-7-15(17)10-11-19(18)21/h2-11,20-21H,12-13H2,1H3.
What are the key properties of 1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol?
1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol has a molecular weight of 277.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 60912931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).