1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol

C16H26FNO — CID 102905547

IUPAC1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
SMILESCC(C)C(CNCC(O)c1ccccc1F)C(C)C
InChIInChI=1S/C16H26FNO/c1-11(2)14(12(3)4)9-18-10-16(19)13-7-5-6-8-15(13)17/h5-8,11-12,14,16,18-19H,9-10H2,1-4H3
InChIKeyKBUJVHNGLUJDLP-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.38
Rot. Bonds7

About 1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol

1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol (PubChem CID 102905547) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
PubChem CID102905547
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
SMILESCC(C)C(CNCC(O)c1ccccc1F)C(C)C
InChIInChI=1S/C16H26FNO/c1-11(2)14(12(3)4)9-18-10-16(19)13-7-5-6-8-15(13)17/h5-8,11-12,14,16,18-19H,9-10H2,1-4H3
InChIKeyKBUJVHNGLUJDLP-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
CID 79358145
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
CID 62640651
2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol
CID 79100107
2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
CID 105416434
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 54937977
1-(2-fluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905464
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol (CID 102905547) is 1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol is CC(C)C(CNCC(O)c1ccccc1F)C(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol?
The InChIKey is KBUJVHNGLUJDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-11(2)14(12(3)4)9-18-10-16(19)13-7-5-6-8-15(13)17/h5-8,11-12,14,16,18-19H,9-10H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol?
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol has a molecular weight of 267.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol is sourced from PubChem (CID 102905547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).