1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine

C14H22FN — CID 62602141

IUPAC1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
SMILESCC(C)(C)CCC(N)Cc1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-14(2,3)8-7-13(16)10-11-5-4-6-12(15)9-11/h4-6,9,13H,7-8,10,16H2,1-3H3
InChIKeyZYJILLGJBGVDKS-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.52
Rot. Bonds4

About 1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine

1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine (PubChem CID 62602141) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
PubChem CID62602141
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
SMILESCC(C)(C)CCC(N)Cc1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-14(2,3)8-7-13(16)10-11-5-4-6-12(15)9-11/h4-6,9,13H,7-8,10,16H2,1-3H3
InChIKeyZYJILLGJBGVDKS-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62601843
2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66059277
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473637
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135054
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(3-fluorophenyl)-5-phenoxypentan-2-amine
CID 62936292
1-(4-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62606824
1-(2-bromo-3,3-dimethylbutyl)-3-fluorobenzene
CID 63543994
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine (CID 62602141) is 1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine is CC(C)(C)CCC(N)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine?
The InChIKey is ZYJILLGJBGVDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-14(2,3)8-7-13(16)10-11-5-4-6-12(15)9-11/h4-6,9,13H,7-8,10,16H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine?
1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine has a molecular weight of 223.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 62602141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).