1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol

C17H19F2NO — CID 62315194

IUPAC1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
SMILESCc1cccc(CCNCC(O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H19F2NO/c1-12-3-2-4-13(9-12)7-8-20-11-17(21)15-6-5-14(18)10-16(15)19/h2-6,9-10,17,20-21H,7-8,11H2,1H3
InChIKeySAIHFIROBJTXMB-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.14
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol

1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol (PubChem CID 62315194) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
PubChem CID62315194
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
SMILESCc1cccc(CCNCC(O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H19F2NO/c1-12-3-2-4-13(9-12)7-8-20-11-17(21)15-6-5-14(18)10-16(15)19/h2-6,9-10,17,20-21H,7-8,11H2,1H3
InChIKeySAIHFIROBJTXMB-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315005
1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol
CID 60908570
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
1-(2,4-difluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanol
CID 47559569
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105093937
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol
CID 62321964
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 63068009
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol (CID 62315194) is 1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol is Cc1cccc(CCNCC(O)c2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol?
The InChIKey is SAIHFIROBJTXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12-3-2-4-13(9-12)7-8-20-11-17(21)15-6-5-14(18)10-16(15)19/h2-6,9-10,17,20-21H,7-8,11H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol?
1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol has a molecular weight of 291.34 g/mol, XLogP of 3.14, 6 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-[2-(3-methylphenyl)ethylamino]ethanol is sourced from PubChem (CID 62315194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).