2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol

C16H21NO — CID 115135292

IUPAC2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol
SMILESCN(CC(C)(C)CO)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-16(2,12-18)11-17(3)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,18H,11-12H2,1-3H3
InChIKeyFZNXOORWDCNAIO-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.29
Rot. Bonds4

About 2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol

2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol (PubChem CID 115135292) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol
PubChem CID115135292
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol
SMILESCN(CC(C)(C)CO)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-16(2,12-18)11-17(3)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,18H,11-12H2,1-3H3
InChIKeyFZNXOORWDCNAIO-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol (CID 115135292) is 2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol is CN(CC(C)(C)CO)c1ccc2ccccc2c1.
What is the InChIKey of 2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol?
The InChIKey is FZNXOORWDCNAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,12-18)11-17(3)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,18H,11-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol?
2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol is sourced from PubChem (CID 115135292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).