3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol

C19H17F2NO — CID 86287817

IUPAC3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol
SMILESNCC(c1ccc2ccccc2c1)C(O)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2NO/c20-15-7-8-16(18(21)10-15)19(23)17(11-22)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,17,19,23H,11,22H2
InChIKeyGNTDQQLVISVFBH-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.89
Rot. Bonds4

About 3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol

3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol (PubChem CID 86287817) has the molecular formula C19H17F2NO and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol
PubChem CID86287817
Molecular FormulaC19H17F2NO
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol
SMILESNCC(c1ccc2ccccc2c1)C(O)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2NO/c20-15-7-8-16(18(21)10-15)19(23)17(11-22)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,17,19,23H,11,22H2
InChIKeyGNTDQQLVISVFBH-UHFFFAOYSA-N
XLogP3.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-3-(Methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631904
2-Amino-1-(naphthalen-2-yl)ethan-1-ol
CID 2735379
(1R,2R)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol
CID 20631901
2-Amino-1-(naphthalen-1-yl)ethan-1-ol
CID 16768136
(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
CID 45262335
(1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 45265245
(1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 45265255
(1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 45265302
3-hydroxy-3-(1-naphthyl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methyleneamino]propanamidine
CID 118714227
N'-[(E)-(2,4-difluorophenyl)methyleneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 118714232
N'-[(E)-(3,4-difluorophenyl)methyleneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 118714233
N'-[(E)-(4-fluorophenyl)methyleneamino]-3-hydroxy-3-(9-phenanthryl)propanamidine
CID 118714249

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol (CID 86287817) is 3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol is NCC(c1ccc2ccccc2c1)C(O)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol?
The InChIKey is GNTDQQLVISVFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO/c20-15-7-8-16(18(21)10-15)19(23)17(11-22)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,17,19,23H,11,22H2.
What are the key properties of 3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol?
3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol has a molecular weight of 313.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 86287817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).