1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine

C14H12Cl2FNO — CID 44562614

IUPAC1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-18-8-9-2-3-10(15)6-14(9)19-11-4-5-13(17)12(16)7-11/h2-7,18H,8H2,1H3
InChIKeyCPLHAFLWFOQFKD-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.64
Rot. Bonds4

About 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine

1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine (PubChem CID 44562614) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
PubChem CID44562614
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-18-8-9-2-3-10(15)6-14(9)19-11-4-5-13(17)12(16)7-11/h2-7,18H,8H2,1H3
InChIKeyCPLHAFLWFOQFKD-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine 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

N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857375
1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63879873
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855627
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856483
1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 103037822
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine (CID 44562614) is 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is CPLHAFLWFOQFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-18-8-9-2-3-10(15)6-14(9)19-11-4-5-13(17)12(16)7-11/h2-7,18H,8H2,1H3.
What are the key properties of 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 300.16 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 44562614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).