1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine

C9H11ClFNO — CID 131177038

IUPAC1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
SMILESCON(C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H11ClFNO/c1-12(13-2)6-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3
InChIKeyUPMDNLFSXTULSC-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.47
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine

1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine (PubChem CID 131177038) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
PubChem CID131177038
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
SMILESCON(C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H11ClFNO/c1-12(13-2)6-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3
InChIKeyUPMDNLFSXTULSC-UHFFFAOYSA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62680595
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
methyl 2-[(4-chloro-3-fluorophenyl)methyl-methylamino]benzoate
CID 107885982
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine
CID 130725547
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine
CID 107887497
(4-chloro-3-fluorophenyl)methylazanium
CID 7015596
CID 59280137
CID 59280137
N-[(4-chloro-3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133431092
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyano-N-methylethanimidamide
CID 134109387
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine
CID 122142133

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine (CID 131177038) is 1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine is CON(C)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine?
The InChIKey is UPMDNLFSXTULSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-12(13-2)6-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine?
1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine has a molecular weight of 203.64 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine is sourced from PubChem (CID 131177038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).