1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine

C14H12Cl2FNO — CID 106531214

IUPAC1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-18-8-9-4-11(17)7-12(5-9)19-14-3-2-10(15)6-13(14)16/h2-7,18H,8H2,1H3
InChIKeyHRCKVVUQIVMJEO-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.64
Rot. Bonds4

About 1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine

1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 106531214) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID106531214
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-18-8-9-4-11(17)7-12(5-9)19-14-3-2-10(15)6-13(14)16/h2-7,18H,8H2,1H3
InChIKeyHRCKVVUQIVMJEO-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

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Related Compounds

1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81331494
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531190
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531241
1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43622080
N-[[3-(2-bromo-4-chlorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 106533376
1-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 106531188

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 106531214) is 1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)cc(Oc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is HRCKVVUQIVMJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-18-8-9-4-11(17)7-12(5-9)19-14-3-2-10(15)6-13(14)16/h2-7,18H,8H2,1H3.
What are the key properties of 1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-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-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106531214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).