1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol

C14H22FNO — CID 114877285

IUPAC1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol
SMILESCCC(C)CC(O)C(CN)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-10(2)7-14(17)13(9-16)11-5-4-6-12(15)8-11/h4-6,8,10,13-14,17H,3,7,9,16H2,1-2H3
InChIKeyNHVBXMMYAOPFNG-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.67
Rot. Bonds6

About 1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol

1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol (PubChem CID 114877285) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol.

Molecular Properties

Compound Name1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol
PubChem CID114877285
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol
SMILESCCC(C)CC(O)C(CN)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-10(2)7-14(17)13(9-16)11-5-4-6-12(15)8-11/h4-6,8,10,13-14,17H,3,7,9,16H2,1-2H3
InChIKeyNHVBXMMYAOPFNG-UHFFFAOYSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114877278
4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol
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1-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
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1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
1-(3-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934242
(1R,2S)-1-amino-1-(3-fluorophenyl)-4-methylpentan-2-ol
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N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 43094653
3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
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CID 107894996

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol?
The IUPAC name of 1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol (CID 114877285) is 1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol.
What is the SMILES notation for 1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol?
The canonical SMILES for 1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol is CCC(C)CC(O)C(CN)c1cccc(F)c1.
What is the InChIKey of 1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol?
The InChIKey is NHVBXMMYAOPFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-10(2)7-14(17)13(9-16)11-5-4-6-12(15)8-11/h4-6,8,10,13-14,17H,3,7,9,16H2,1-2H3.
What are the key properties of 1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol?
1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol has a molecular weight of 239.33 g/mol, XLogP of 2.67, 6 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)-5-methylheptan-3-ol is sourced from PubChem (CID 114877285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).