[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine

C10H13F2NO2 — CID 90155936

IUPAC[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccc(OC(F)F)c(CN)c1
InChIInChI=1S/C10H13F2NO2/c1-14-6-7-2-3-9(15-10(11)12)8(4-7)5-13/h2-4,10H,5-6,13H2,1H3
InChIKeyNLHDOYPCDNAFAE-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.89
Rot. Bonds5

About [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine

[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine (PubChem CID 90155936) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine
PubChem CID90155936
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccc(OC(F)F)c(CN)c1
InChIInChI=1S/C10H13F2NO2/c1-14-6-7-2-3-9(15-10(11)12)8(4-7)5-13/h2-4,10H,5-6,13H2,1H3
InChIKeyNLHDOYPCDNAFAE-UHFFFAOYSA-N
XLogP1.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263
[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine
CID 102721800
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953
[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine
CID 90156027
[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
CID 103401488
2-[2-(difluoromethoxy)-5-(2-oxopropyl)phenyl]acetic acid
CID 118809070
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
CID 107879028
1,2-bis(difluoromethoxy)-4-ethylbenzene
CID 70298002
2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline
CID 174463827
[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine
CID 170998587

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine?
The IUPAC name of [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine (CID 90155936) is [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine is COCc1ccc(OC(F)F)c(CN)c1.
What is the InChIKey of [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine?
The InChIKey is NLHDOYPCDNAFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-14-6-7-2-3-9(15-10(11)12)8(4-7)5-13/h2-4,10H,5-6,13H2,1H3.
What are the key properties of [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine?
[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine has a molecular weight of 217.21 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 90155936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).