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

C16H18ClNO — CID 114855442

IUPAC1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
SMILESCCc1ccc(Oc2ccc(Cl)cc2CNC)cc1
InChIInChI=1S/C16H18ClNO/c1-3-12-4-7-15(8-5-12)19-16-9-6-14(17)10-13(16)11-18-2/h4-10,18H,3,11H2,1-2H3
InChIKeyWKGYIGXWCMCRBJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.41
Rot. Bonds5

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

1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 114855442) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
PubChem CID114855442
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
SMILESCCc1ccc(Oc2ccc(Cl)cc2CNC)cc1
InChIInChI=1S/C16H18ClNO/c1-3-12-4-7-15(8-5-12)19-16-9-6-14(17)10-13(16)11-18-2/h4-10,18H,3,11H2,1-2H3
InChIKeyWKGYIGXWCMCRBJ-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796195
1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855838
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
1-[2-(3-tert-butylphenoxy)-5-chlorophenyl]-N-methylmethanamine
CID 114856226
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 107666852
1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 115492896
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine (CID 114855442) is 1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine is CCc1ccc(Oc2ccc(Cl)cc2CNC)cc1.
What is the InChIKey of 1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is WKGYIGXWCMCRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-12-4-7-15(8-5-12)19-16-9-6-14(17)10-13(16)11-18-2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114855442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).