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

C15H21F2NO — CID 62785970

IUPAC2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H21F2NO/c1-2-3-10-4-5-14(18)15(6-10)19-13-8-11(16)7-12(17)9-13/h7-10,14-15H,2-6,18H2,1H3
InChIKeyKXNGKWPGZZEYAG-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.64
Rot. Bonds4

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

2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine (PubChem CID 62785970) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine
PubChem CID62785970
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H21F2NO/c1-2-3-10-4-5-14(18)15(6-10)19-13-8-11(16)7-12(17)9-13/h7-10,14-15H,2-6,18H2,1H3
InChIKeyKXNGKWPGZZEYAG-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine
CID 62783742
2-(4-ethoxyphenoxy)-4-propylcyclohexan-1-amine
CID 60916863
2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine
CID 62336151
[2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine
CID 43621914
2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine
CID 55112524
[2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine
CID 43530896
2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
CID 63499477
2-(cyclopentylmethoxy)-4-propylcyclohexan-1-amine
CID 66322821
3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942588
2-(4-ethylphenoxy)-4-propylcyclohexan-1-ol
CID 63472519
4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine
CID 64856159
2-(2,3-dihydro-1H-inden-5-yloxy)-4-propylcyclohexan-1-ol
CID 63466658

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine (CID 62785970) is 2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(Oc2cc(F)cc(F)c2)C1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine?
The InChIKey is KXNGKWPGZZEYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-3-10-4-5-14(18)15(6-10)19-13-8-11(16)7-12(17)9-13/h7-10,14-15H,2-6,18H2,1H3.
What are the key properties of 2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine?
2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.64, 4 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-propylcyclohexan-1-amine is sourced from PubChem (CID 62785970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).