3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol

C21H23NO — CID 22385898

IUPAC3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
SMILESCN(C)CC(c1ccc2ccccc2c1)C(O)c1ccccc1
InChIInChI=1S/C21H23NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-21,23H,15H2,1-2H3
InChIKeyNJZNJPXRRCEVDH-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.22
Rot. Bonds5

About 3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol

3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol (PubChem CID 22385898) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
PubChem CID22385898
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
SMILESCN(C)CC(c1ccc2ccccc2c1)C(O)c1ccccc1
InChIInChI=1S/C21H23NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-21,23H,15H2,1-2H3
InChIKeyNJZNJPXRRCEVDH-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]-N-methylacetamide
CID 118675458
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 67203789
(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol
CID 158603374
2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide
CID 118675704
(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204623
3-(methylamino)-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol
CID 118675562
(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
CID 58420104
3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride
CID 118675600
(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol
CID 10802720

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The IUPAC name of 3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol (CID 22385898) is 3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol is CN(C)CC(c1ccc2ccccc2c1)C(O)c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The InChIKey is NJZNJPXRRCEVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-21,23H,15H2,1-2H3.
What are the key properties of 3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol?
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 22385898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).