[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine

C14H17F2N3O2 — CID 60878707

IUPAC[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine
SMILESCCOc1cccc(CN)c1OCc1nccn1C(F)F
InChIInChI=1S/C14H17F2N3O2/c1-2-20-11-5-3-4-10(8-17)13(11)21-9-12-18-6-7-19(12)14(15)16/h3-7,14H,2,8-9,17H2,1H3
InChIKeyHQEAMMXEQZZCLU-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.71
Rot. Bonds7

About [2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine

[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine (PubChem CID 60878707) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is [2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine
PubChem CID60878707
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine
SMILESCCOc1cccc(CN)c1OCc1nccn1C(F)F
InChIInChI=1S/C14H17F2N3O2/c1-2-20-11-5-3-4-10(8-17)13(11)21-9-12-18-6-7-19(12)14(15)16/h3-7,14H,2,8-9,17H2,1H3
InChIKeyHQEAMMXEQZZCLU-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952206
[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine
CID 107686258
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60879448
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 55191156
N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine
CID 60883294
[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60880025
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
CID 54966365
[3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495108

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine?
The IUPAC name of [2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine (CID 60878707) is [2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine.
What is the SMILES notation for [2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine?
The canonical SMILES for [2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine is CCOc1cccc(CN)c1OCc1nccn1C(F)F.
What is the InChIKey of [2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine?
The InChIKey is HQEAMMXEQZZCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-2-20-11-5-3-4-10(8-17)13(11)21-9-12-18-6-7-19(12)14(15)16/h3-7,14H,2,8-9,17H2,1H3.
What are the key properties of [2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine?
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine has a molecular weight of 297.31 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine is sourced from PubChem (CID 60878707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).