1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol

C16H21NO — CID 116911415

IUPAC1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol
SMILESCN(C)C(c1cccc2ccccc12)C(C)(C)O
InChIInChI=1S/C16H21NO/c1-16(2,18)15(17(3)4)14-11-7-9-12-8-5-6-10-13(12)14/h5-11,15,18H,1-4H3
InChIKeyKIUCKAKSIRJFEK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.21
Rot. Bonds3

About 1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol

1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol (PubChem CID 116911415) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol
PubChem CID116911415
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol
SMILESCN(C)C(c1cccc2ccccc12)C(C)(C)O
InChIInChI=1S/C16H21NO/c1-16(2,18)15(17(3)4)14-11-7-9-12-8-5-6-10-13(12)14/h5-11,15,18H,1-4H3
InChIKeyKIUCKAKSIRJFEK-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N,N,2,2-tetramethyl-1-naphthalen-1-ylpropan-1-amine
CID 102257505
1-amino-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 23091320
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine
CID 141080662
N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide
CID 23140848
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
N-(2-hydroxy-1-naphthalen-1-ylethyl)-N-methylacetamide
CID 116860926
1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane
CID 157116142
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol (CID 116911415) is 1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol is CN(C)C(c1cccc2ccccc12)C(C)(C)O.
What is the InChIKey of 1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol?
The InChIKey is KIUCKAKSIRJFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,18)15(17(3)4)14-11-7-9-12-8-5-6-10-13(12)14/h5-11,15,18H,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol?
1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol is sourced from PubChem (CID 116911415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).