1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol

C17H19F2NO — CID 81348797

IUPAC1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
SMILESCc1ccc([C@@H](C)NCC(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-11-3-5-13(6-4-11)12(2)20-10-17(21)15-8-7-14(18)9-16(15)19/h3-9,12,17,20-21H,10H2,1-2H3/t12-,17?/m1/s1
InChIKeyRMAWOJXJAZTCBR-MTATWXBHSA-N
MW291.34 g/mol
LogP3.66
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol

1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol (PubChem CID 81348797) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
PubChem CID81348797
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
SMILESCc1ccc([C@@H](C)NCC(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-11-3-5-13(6-4-11)12(2)20-10-17(21)15-8-7-14(18)9-16(15)19/h3-9,12,17,20-21H,10H2,1-2H3/t12-,17?/m1/s1
InChIKeyRMAWOJXJAZTCBR-MTATWXBHSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558
1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
CID 81382557
1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355439
1-(3-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355811
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol
CID 60979926
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408093
1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 61192642
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol (CID 81348797) is 1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol is Cc1ccc([C@@H](C)NCC(O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol?
The InChIKey is RMAWOJXJAZTCBR-MTATWXBHSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11-3-5-13(6-4-11)12(2)20-10-17(21)15-8-7-14(18)9-16(15)19/h3-9,12,17,20-21H,10H2,1-2H3/t12-,17?/m1/s1.
What are the key properties of 1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol?
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol has a molecular weight of 291.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol is sourced from PubChem (CID 81348797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).