1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine

C9H11ClFNO — CID 78968847

IUPAC1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
SMILESCONC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO/c1-6(12-13-2)7-3-4-9(11)8(10)5-7/h3-6,12H,1-2H3
InChIKeyKCINTWDUPCTYRK-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine

1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine (PubChem CID 78968847) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
PubChem CID78968847
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
SMILESCONC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO/c1-6(12-13-2)7-3-4-9(11)8(10)5-7/h3-6,12H,1-2H3
InChIKeyKCINTWDUPCTYRK-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(2-methylpropoxy)ethanamine
CID 82710342
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
CID 43200173
1-(3,5-difluorophenyl)-N-methoxyethanamine
CID 82706905
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
CID 43743616
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643726
(1S)-1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]ethanamine
CID 81354920
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388525
2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 130178989

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine (CID 78968847) is 1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine is CONC(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine?
The InChIKey is KCINTWDUPCTYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-6(12-13-2)7-3-4-9(11)8(10)5-7/h3-6,12H,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine?
1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine has a molecular weight of 203.64 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine is sourced from PubChem (CID 78968847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).