[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine

C15H21F2NO — CID 79887009

IUPAC[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine
SMILESCCC1CCCCC1Oc1c(F)cc(CN)cc1F
InChIInChI=1S/C15H21F2NO/c1-2-11-5-3-4-6-14(11)19-15-12(16)7-10(9-18)8-13(15)17/h7-8,11,14H,2-6,9,18H2,1H3
InChIKeyOZMPXMZKTXTMSU-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.77
Rot. Bonds4

About [4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine

[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine (PubChem CID 79887009) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine
PubChem CID79887009
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine
SMILESCCC1CCCCC1Oc1c(F)cc(CN)cc1F
InChIInChI=1S/C15H21F2NO/c1-2-11-5-3-4-6-14(11)19-15-12(16)7-10(9-18)8-13(15)17/h7-8,11,14H,2-6,9,18H2,1H3
InChIKeyOZMPXMZKTXTMSU-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 107741276
2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline
CID 62533930
1-[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 107741690
[4-(2-ethylcyclohexyl)oxy-3,5-dimethylphenyl]methanol
CID 63862685
2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63861675
1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene
CID 112613680
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 63861212
1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene
CID 82726671
(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methanamine
CID 114619870
N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine
CID 115953347
4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068944
4-[4-(aminomethyl)-2,6-difluorophenoxy]-1,1-dioxothiolan-3-ol
CID 79886218

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine (CID 79887009) is [4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine is CCC1CCCCC1Oc1c(F)cc(CN)cc1F.
What is the InChIKey of [4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine?
The InChIKey is OZMPXMZKTXTMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-11-5-3-4-6-14(11)19-15-12(16)7-10(9-18)8-13(15)17/h7-8,11,14H,2-6,9,18H2,1H3.
What are the key properties of [4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine?
[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine has a molecular weight of 269.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 79887009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).