1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine

C15H16ClNO2 — CID 114855838

IUPAC1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1Oc1ccc(OC)cc1
InChIInChI=1S/C15H16ClNO2/c1-17-10-11-9-12(16)3-8-15(11)19-14-6-4-13(18-2)5-7-14/h3-9,17H,10H2,1-2H3
InChIKeyCYMOFKROWLGYOA-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.86
Rot. Bonds5

About 1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine

1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine (PubChem CID 114855838) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
PubChem CID114855838
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1Oc1ccc(OC)cc1
InChIInChI=1S/C15H16ClNO2/c1-17-10-11-9-12(16)3-8-15(11)19-14-6-4-13(18-2)5-7-14/h3-9,17H,10H2,1-2H3
InChIKeyCYMOFKROWLGYOA-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796195
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
1-[2-(3-tert-butylphenoxy)-5-chlorophenyl]-N-methylmethanamine
CID 114856226
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
1-[5-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856490
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
1-[5-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857852

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine (CID 114855838) is 1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1Oc1ccc(OC)cc1.
What is the InChIKey of 1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is CYMOFKROWLGYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-17-10-11-9-12(16)3-8-15(11)19-14-6-4-13(18-2)5-7-14/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 277.75 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114855838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).