1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol

C16H26FNO — CID 102612767

IUPAC1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
SMILESCC(Cc1ccccc1F)NCC(O)CC(C)(C)C
InChIInChI=1S/C16H26FNO/c1-12(9-13-7-5-6-8-15(13)17)18-11-14(19)10-16(2,3)4/h5-8,12,14,18-19H,9-11H2,1-4H3
InChIKeyLUPCMZDYYRIUKM-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.14
Rot. Bonds6

About 1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol

1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol (PubChem CID 102612767) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
PubChem CID102612767
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
SMILESCC(Cc1ccccc1F)NCC(O)CC(C)(C)C
InChIInChI=1S/C16H26FNO/c1-12(9-13-7-5-6-8-15(13)17)18-11-14(19)10-16(2,3)4/h5-8,12,14,18-19H,9-11H2,1-4H3
InChIKeyLUPCMZDYYRIUKM-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 114830845
N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 114830797
1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 103522246
N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 114828923
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
1-(2,3-difluorophenyl)-4,4-dimethylpentan-2-ol
CID 63891069
1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 63834393
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
1-(2-fluorophenyl)-3-(methylamino)propan-2-ol
CID 64989565
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol (CID 102612767) is 1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol is CC(Cc1ccccc1F)NCC(O)CC(C)(C)C.
What is the InChIKey of 1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is LUPCMZDYYRIUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-12(9-13-7-5-6-8-15(13)17)18-11-14(19)10-16(2,3)4/h5-8,12,14,18-19H,9-11H2,1-4H3.
What are the key properties of 1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol?
1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 267.39 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-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 102612767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).