2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol

C18H22FNO — CID 62983990

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C18H22FNO/c1-13-8-4-5-9-15(13)18(21)12-20(3)14(2)16-10-6-7-11-17(16)19/h4-11,14,18,21H,12H2,1-3H3
InChIKeyXRKNUVVEEVMSSF-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.86
Rot. Bonds5

About 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol

2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol (PubChem CID 62983990) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
PubChem CID62983990
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C18H22FNO/c1-13-8-4-5-9-15(13)18(21)12-20(3)14(2)16-10-6-7-11-17(16)19/h4-11,14,18,21H,12H2,1-3H3
InChIKeyXRKNUVVEEVMSSF-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
(1R)-1-(2-fluorophenyl)-2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 97136684
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 64898179
1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475277
2-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013097
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol (CID 62983990) is 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)CN(C)C(C)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol?
The InChIKey is XRKNUVVEEVMSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13-8-4-5-9-15(13)18(21)12-20(3)14(2)16-10-6-7-11-17(16)19/h4-11,14,18,21H,12H2,1-3H3.
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol?
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol has a molecular weight of 287.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 62983990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).