1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol

C14H22FNO — CID 65190542

IUPAC1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
SMILESCC(C)C(C)C(O)C(CN)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-9(2)10(3)14(17)13(8-16)11-5-4-6-12(15)7-11/h4-7,9-10,13-14,17H,8,16H2,1-3H3
InChIKeyOTRCVUOTYAXVII-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.52
Rot. Bonds5

About 1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol

1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol (PubChem CID 65190542) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
PubChem CID65190542
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
SMILESCC(C)C(C)C(O)C(CN)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-9(2)10(3)14(17)13(8-16)11-5-4-6-12(15)7-11/h4-7,9-10,13-14,17H,8,16H2,1-3H3
InChIKeyOTRCVUOTYAXVII-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(3-fluorophenyl)hexan-3-ol
CID 65190033
1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114877285
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
CID 80523424
4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol
CID 65190596
1-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65190027
(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171161576
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697
2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol
CID 82282052
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol?
The IUPAC name of 1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol (CID 65190542) is 1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol.
What is the SMILES notation for 1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol?
The canonical SMILES for 1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol is CC(C)C(C)C(O)C(CN)c1cccc(F)c1.
What is the InChIKey of 1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol?
The InChIKey is OTRCVUOTYAXVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-9(2)10(3)14(17)13(8-16)11-5-4-6-12(15)7-11/h4-7,9-10,13-14,17H,8,16H2,1-3H3.
What are the key properties of 1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol?
1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol has a molecular weight of 239.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol is sourced from PubChem (CID 65190542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).