1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine

C9H10ClF2NO2 — CID 117347914

IUPAC1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(F)c(Cl)c(F)c1OC
InChIInChI=1S/C9H10ClF2NO2/c1-14-9-5(4-13-15-2)3-6(11)7(10)8(9)12/h3,13H,4H2,1-2H3
InChIKeyHNDMTTYLUIJEJN-UHFFFAOYSA-N
MW237.63 g/mol
LogP2.28
Rot. Bonds4

About 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine

1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117347914) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine
PubChem CID117347914
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(F)c(Cl)c(F)c1OC
InChIInChI=1S/C9H10ClF2NO2/c1-14-9-5(4-13-15-2)3-6(11)7(10)8(9)12/h3,13H,4H2,1-2H3
InChIKeyHNDMTTYLUIJEJN-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine 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

1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313548
1-(chloromethyl)-3,4,5-trifluoro-2-methoxybenzene
CID 131010984
1-(5-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methoxymethanamine
CID 117359360
3-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117416062
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid
CID 117418267
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117398158
N-methoxy-1-(2,3,5-trifluoro-4-methylsulfanylphenyl)methanamine
CID 117346251

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine (CID 117347914) is 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine is CONCc1cc(F)c(Cl)c(F)c1OC.
What is the InChIKey of 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is HNDMTTYLUIJEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2/c1-14-9-5(4-13-15-2)3-6(11)7(10)8(9)12/h3,13H,4H2,1-2H3.
What are the key properties of 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine?
1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 237.63 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117347914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).