1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol

C14H22FNO — CID 83931690

IUPAC1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1cc(C)c(C)cc1F
InChIInChI=1S/C14H22FNO/c1-4-11(7-12(17)8-16)13-5-9(2)10(3)6-14(13)15/h5-6,11-12,17H,4,7-8,16H2,1-3H3
InChIKeyIBJGDDJFNLVCOA-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.65
Rot. Bonds5

About 1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol

1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol (PubChem CID 83931690) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
PubChem CID83931690
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1cc(C)c(C)cc1F
InChIInChI=1S/C14H22FNO/c1-4-11(7-12(17)8-16)13-5-9(2)10(3)6-14(13)15/h5-6,11-12,17H,4,7-8,16H2,1-3H3
InChIKeyIBJGDDJFNLVCOA-UHFFFAOYSA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol
CID 83922559
4-(2-chloro-4,5-dimethylphenyl)hexane-1,2-diol
CID 83931558
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
1-amino-4-(4-fluorophenyl)hexan-2-ol
CID 83930990
1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene
CID 83931667
1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
CID 83933716
2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol
CID 83931462
5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol
CID 83931688
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
1-amino-4-(4-bromo-3-methylphenyl)hexan-2-ol
CID 83936364

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol (CID 83931690) is 1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol is CCC(CC(O)CN)c1cc(C)c(C)cc1F.
What is the InChIKey of 1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol?
The InChIKey is IBJGDDJFNLVCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-11(7-12(17)8-16)13-5-9(2)10(3)6-14(13)15/h5-6,11-12,17H,4,7-8,16H2,1-3H3.
What are the key properties of 1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol?
1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol has a molecular weight of 239.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol is sourced from PubChem (CID 83931690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).