4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine

C14H21F2NO — CID 55143417

IUPAC4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine
SMILESCCC(N)C(Oc1cccc(F)c1F)C(C)(C)C
InChIInChI=1S/C14H21F2NO/c1-5-10(17)13(14(2,3)4)18-11-8-6-7-9(15)12(11)16/h6-8,10,13H,5,17H2,1-4H3
InChIKeyVIHKCUKOBQOCLR-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.50
Rot. Bonds4

About 4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine

4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine (PubChem CID 55143417) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine
PubChem CID55143417
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine
SMILESCCC(N)C(Oc1cccc(F)c1F)C(C)(C)C
InChIInChI=1S/C14H21F2NO/c1-5-10(17)13(14(2,3)4)18-11-8-6-7-9(15)12(11)16/h6-8,10,13H,5,17H2,1-4H3
InChIKeyVIHKCUKOBQOCLR-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-butan-2-ylphenoxy)-5,5-dimethylhexan-3-amine
CID 63456805
1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
CID 63036389
1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine
CID 63037624
1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
CID 63038140
4-(3,5-difluorophenoxy)-5,5-dimethylhexan-3-amine
CID 62784471
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine
CID 63460125
4-(4-tert-butylphenoxy)-5,5-dimethylhexan-3-amine
CID 63458446
5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine
CID 63460817
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
3-(2,3-difluorophenoxy)butanimidamide
CID 114988073

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine?
The IUPAC name of 4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine (CID 55143417) is 4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine.
What is the SMILES notation for 4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine?
The canonical SMILES for 4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine is CCC(N)C(Oc1cccc(F)c1F)C(C)(C)C.
What is the InChIKey of 4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine?
The InChIKey is VIHKCUKOBQOCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-5-10(17)13(14(2,3)4)18-11-8-6-7-9(15)12(11)16/h6-8,10,13H,5,17H2,1-4H3.
What are the key properties of 4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine?
4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine has a molecular weight of 257.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 55143417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).