[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine

C10H13F2NO2 — CID 84682512

IUPAC[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(C(F)F)c(OC)cc1CN
InChIInChI=1S/C10H13F2NO2/c1-14-8-4-7(10(11)12)9(15-2)3-6(8)5-13/h3-4,10H,5,13H2,1-2H3
InChIKeyIAJSZSWTOJMRRD-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.10
Rot. Bonds4

About [4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine

[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine (PubChem CID 84682512) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is [4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
PubChem CID84682512
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(C(F)F)c(OC)cc1CN
InChIInChI=1S/C10H13F2NO2/c1-14-8-4-7(10(11)12)9(15-2)3-6(8)5-13/h3-4,10H,5,13H2,1-2H3
InChIKeyIAJSZSWTOJMRRD-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
CID 117364649
2-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369699
2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117335907
(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine
CID 84709439
3-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]propan-1-amine
CID 117355471
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
CID 118836880
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 118831446
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369704
N-[[2-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337439
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 162430094

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine (CID 84682512) is [4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine is COc1cc(C(F)F)c(OC)cc1CN.
What is the InChIKey of [4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine?
The InChIKey is IAJSZSWTOJMRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-14-8-4-7(10(11)12)9(15-2)3-6(8)5-13/h3-4,10H,5,13H2,1-2H3.
What are the key properties of [4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine?
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine has a molecular weight of 217.22 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine is sourced from PubChem (CID 84682512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).