3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol

C20H20FNO — CID 67203907

IUPAC3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCNC(c1ccc(F)cc1)C(CO)c1ccc2ccccc2c1
InChIInChI=1S/C20H20FNO/c1-22-20(15-8-10-18(21)11-9-15)19(13-23)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,19-20,22-23H,13H2,1H3
InChIKeyBJGLPYWPKQFSPO-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.02
Rot. Bonds5

About 3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol

3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol (PubChem CID 67203907) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
PubChem CID67203907
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCNC(c1ccc(F)cc1)C(CO)c1ccc2ccccc2c1
InChIInChI=1S/C20H20FNO/c1-22-20(15-8-10-18(21)11-9-15)19(13-23)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,19-20,22-23H,13H2,1H3
InChIKeyBJGLPYWPKQFSPO-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204460
(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204623
1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol
CID 116957742
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
(4-fluorophenyl)-naphthalen-2-ylmethanamine
CID 43184816
N,2-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 115850950
2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol
CID 100944960
(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
CID 116962174
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 20631914

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol (CID 67203907) is 3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol is CNC(c1ccc(F)cc1)C(CO)c1ccc2ccccc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The InChIKey is BJGLPYWPKQFSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c1-22-20(15-8-10-18(21)11-9-15)19(13-23)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,19-20,22-23H,13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol has a molecular weight of 309.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 67203907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).