1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol

C14H22FNO — CID 65185567

IUPAC1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
SMILESCCCC(C)C(O)C(CN)c1ccccc1F
InChIInChI=1S/C14H22FNO/c1-3-6-10(2)14(17)12(9-16)11-7-4-5-8-13(11)15/h4-5,7-8,10,12,14,17H,3,6,9,16H2,1-2H3
InChIKeySSGUQGUTYNVHRM-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.67
Rot. Bonds6

About 1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol

1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol (PubChem CID 65185567) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol.

Molecular Properties

Compound Name1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
PubChem CID65185567
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
SMILESCCCC(C)C(O)C(CN)c1ccccc1F
InChIInChI=1S/C14H22FNO/c1-3-6-10(2)14(17)12(9-16)11-7-4-5-8-13(11)15/h4-5,7-8,10,12,14,17H,3,6,9,16H2,1-2H3
InChIKeySSGUQGUTYNVHRM-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

1-amino-4-methyl-2-phenylheptan-3-ol
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CID 79206013
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-(2-fluorophenyl)-4-methylpentan-1-amine
CID 82076064
3-methyl-2-(2-methylphenyl)hexan-1-amine
CID 107886318
1-amino-2-(2-fluorophenyl)-5-phenylpentan-3-ol
CID 65185569
1-(3-bromohexan-2-yl)-2-fluorobenzene
CID 83051782
1-(4-bromoheptan-3-yl)-2-fluorobenzene
CID 112680311
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185510
5-methyl-3-phenyloctan-4-ol
CID 107894691
N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine
CID 107886995

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol?
The IUPAC name of 1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol (CID 65185567) is 1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol.
What is the SMILES notation for 1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol?
The canonical SMILES for 1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol is CCCC(C)C(O)C(CN)c1ccccc1F.
What is the InChIKey of 1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol?
The InChIKey is SSGUQGUTYNVHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-6-10(2)14(17)12(9-16)11-7-4-5-8-13(11)15/h4-5,7-8,10,12,14,17H,3,6,9,16H2,1-2H3.
What are the key properties of 1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol?
1-amino-2-(2-fluorophenyl)-4-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-(2-fluorophenyl)-4-methylheptan-3-ol is sourced from PubChem (CID 65185567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).