1-amino-4-(4-fluorophenyl)hexan-2-ol

C12H18FNO — CID 83930990

IUPAC1-amino-4-(4-fluorophenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-2-9(7-12(15)8-14)10-3-5-11(13)6-4-10/h3-6,9,12,15H,2,7-8,14H2,1H3
InChIKeyADUDXUUUQHJEEP-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.03
Rot. Bonds5

About 1-amino-4-(4-fluorophenyl)hexan-2-ol

1-amino-4-(4-fluorophenyl)hexan-2-ol (PubChem CID 83930990) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-amino-4-(4-fluorophenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-fluorophenyl)hexan-2-ol
PubChem CID83930990
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-amino-4-(4-fluorophenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-2-9(7-12(15)8-14)10-3-5-11(13)6-4-10/h3-6,9,12,15H,2,7-8,14H2,1H3
InChIKeyADUDXUUUQHJEEP-UHFFFAOYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol
CID 83927251
2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79441509
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
3-(4-fluorophenyl)pentan-1-amine
CID 15014572
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
1-amino-4-(4-bromo-3-methylphenyl)hexan-2-ol
CID 83936364
1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol
CID 83920884
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
CID 83931690
1-amino-4-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-ol
CID 83934628
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-fluorophenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(4-fluorophenyl)hexan-2-ol (CID 83930990) is 1-amino-4-(4-fluorophenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(4-fluorophenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(4-fluorophenyl)hexan-2-ol is CCC(CC(O)CN)c1ccc(F)cc1.
What is the InChIKey of 1-amino-4-(4-fluorophenyl)hexan-2-ol?
The InChIKey is ADUDXUUUQHJEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-2-9(7-12(15)8-14)10-3-5-11(13)6-4-10/h3-6,9,12,15H,2,7-8,14H2,1H3.
What are the key properties of 1-amino-4-(4-fluorophenyl)hexan-2-ol?
1-amino-4-(4-fluorophenyl)hexan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-fluorophenyl)hexan-2-ol is sourced from PubChem (CID 83930990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).