2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine

C13H17F2NO — CID 62783742

IUPAC2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2NO/c1-8-2-3-12(16)13(4-8)17-11-6-9(14)5-10(15)7-11/h5-8,12-13H,2-4,16H2,1H3
InChIKeyFZRIJZUCZGYWHA-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.86
Rot. Bonds2

About 2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine

2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine (PubChem CID 62783742) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine
PubChem CID62783742
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2NO/c1-8-2-3-12(16)13(4-8)17-11-6-9(14)5-10(15)7-11/h5-8,12-13H,2-4,16H2,1H3
InChIKeyFZRIJZUCZGYWHA-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine
CID 62785970
2-(3-methoxyphenoxy)-4-methylcyclohexan-1-amine
CID 16788224
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine
CID 61398789
6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79834962
1-(3-bromo-2-methoxycyclobutyl)oxy-3,5-difluorobenzene
CID 104674083
3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942588
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897
[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43294072
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294223
3-[3-fluoro-5-(4-methylcyclohexyl)oxyphenyl]prop-2-yn-1-amine
CID 81326142
3-[3-fluoro-5-(3-methylcyclohexyl)oxyphenyl]prop-2-yn-1-amine
CID 81325530

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine (CID 62783742) is 2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine is CC1CCC(N)C(Oc2cc(F)cc(F)c2)C1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine?
The InChIKey is FZRIJZUCZGYWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8-2-3-12(16)13(4-8)17-11-6-9(14)5-10(15)7-11/h5-8,12-13H,2-4,16H2,1H3.
What are the key properties of 2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine?
2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine has a molecular weight of 241.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62783742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).