1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol

C16H21NO — CID 61166416

IUPAC1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
SMILESCC(C)(C)CNCc1c(O)ccc2ccccc12
InChIInChI=1S/C16H21NO/c1-16(2,3)11-17-10-14-13-7-5-4-6-12(13)8-9-15(14)18/h4-9,17-18H,10-11H2,1-3H3
InChIKeyMDFMDUGMZOETCZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds3

About 1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol

1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol (PubChem CID 61166416) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
PubChem CID61166416
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
SMILESCC(C)(C)CNCc1c(O)ccc2ccccc12
InChIInChI=1S/C16H21NO/c1-16(2,3)11-17-10-14-13-7-5-4-6-12(13)8-9-15(14)18/h4-9,17-18H,10-11H2,1-3H3
InChIKeyMDFMDUGMZOETCZ-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.68
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

1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
1-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111118565
1-[[(2-hydroxy-3,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111119224
1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
CID 116642987
1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
CID 60912931
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
2-[(2-hydroxynaphthalen-1-yl)methylamino]-N,N-dimethylacetamide
CID 43310908
1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
CID 61019837
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878
1-[(acridin-9-ylamino)methyl]naphthalen-2-ol
CID 52939432
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
CID 78916549

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol (CID 61166416) is 1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol is CC(C)(C)CNCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol?
The InChIKey is MDFMDUGMZOETCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,3)11-17-10-14-13-7-5-4-6-12(13)8-9-15(14)18/h4-9,17-18H,10-11H2,1-3H3.
What are the key properties of 1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol?
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol has a molecular weight of 243.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 61166416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).