1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride

C16H18Cl2FNO2 — CID 11609901

IUPAC1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(F)c(Cl)cc1Oc1cccc(OC)c1C.Cl
InChIInChI=1S/C16H17ClFNO2.ClH/c1-10-14(20-3)5-4-6-15(10)21-16-8-12(17)13(18)7-11(16)9-19-2;/h4-8,19H,9H2,1-3H3;1H
InChIKeyMWBDXGUKRCFPIP-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.73
Rot. Bonds5

About 1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride

1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride (PubChem CID 11609901) has the molecular formula C16H18Cl2FNO2 and a molecular weight of 346.23 g/mol. Its IUPAC name is 1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
PubChem CID11609901
Molecular FormulaC16H18Cl2FNO2
Molecular Weight346.23 g/mol
Exact Mass345.07
IUPAC Name1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(F)c(Cl)cc1Oc1cccc(OC)c1C.Cl
InChIInChI=1S/C16H17ClFNO2.ClH/c1-10-14(20-3)5-4-6-15(10)21-16-8-12(17)13(18)7-11(16)9-19-2;/h4-8,19H,9H2,1-3H3;1H
InChIKeyMWBDXGUKRCFPIP-UHFFFAOYSA-N
XLogP4.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine
CID 69464185
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine
CID 91366090
1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 105395772
2-(4-chloro-5-fluoro-2-methoxyphenyl)acetonitrile
CID 171007005
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107879997
[3-(4-chloro-2,3-dimethylphenoxy)-4-(methylaminomethyl)phenyl]-(3-fluorophenyl)methanol
CID 11560383

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride (CID 11609901) is 1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride is CNCc1cc(F)c(Cl)cc1Oc1cccc(OC)c1C.Cl.
What is the InChIKey of 1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is MWBDXGUKRCFPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2.ClH/c1-10-14(20-3)5-4-6-15(10)21-16-8-12(17)13(18)7-11(16)9-19-2;/h4-8,19H,9H2,1-3H3;1H.
What are the key properties of 1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride?
1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 346.23 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 11609901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).