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

C20H20FNO — CID 67204623

IUPAC(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCNCC(c1ccc2ccccc2c1)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO/c1-22-13-19(20(23)15-8-10-18(21)11-9-15)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,19-20,22-23H,13H2,1H3/t19?,20-/m0/s1
InChIKeyULLOWDMJWWZHFV-ANYOKISRSA-N
MW309.38 g/mol
LogP4.02
Rot. Bonds5

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

(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol (PubChem CID 67204623) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
PubChem CID67204623
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCNCC(c1ccc2ccccc2c1)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO/c1-22-13-19(20(23)15-8-10-18(21)11-9-15)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,19-20,22-23H,13H2,1H3/t19?,20-/m0/s1
InChIKeyULLOWDMJWWZHFV-ANYOKISRSA-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

(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
3-(methylamino)-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol
CID 118675562
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 20631914
(2S)-3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204460
3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67203907
1-(methylamino)-2-naphthalen-2-ylheptan-3-ol
CID 70875702
(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 86288293
(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68762237
2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide
CID 118675704
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68760026

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol (CID 67204623) is (1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol is CNCC(c1ccc2ccccc2c1)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The InChIKey is ULLOWDMJWWZHFV-ANYOKISRSA-N. The full InChI is InChI=1S/C20H20FNO/c1-22-13-19(20(23)15-8-10-18(21)11-9-15)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,19-20,22-23H,13H2,1H3/t19?,20-/m0/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
(1R)-1-(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 (1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 67204623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).