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

C17H20ClNO2 — CID 107666852

IUPAC1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine
SMILESCCc1ccc(Oc2cc(Cl)ccc2CNC)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-4-12-5-8-15(17(9-12)20-3)21-16-10-14(18)7-6-13(16)11-19-2/h5-10,19H,4,11H2,1-3H3
InChIKeyRLDOGTWVRUIRGP-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.42
Rot. Bonds6

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

1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine (PubChem CID 107666852) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine
PubChem CID107666852
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine
SMILESCCc1ccc(Oc2cc(Cl)ccc2CNC)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-4-12-5-8-15(17(9-12)20-3)21-16-10-14(18)7-6-13(16)11-19-2/h5-10,19H,4,11H2,1-3H3
InChIKeyRLDOGTWVRUIRGP-UHFFFAOYSA-N
XLogP4.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
CID 107668910
1-[6-(4-ethyl-2-methoxyphenoxy)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 107668273
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796314
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
[4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743646
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-[6-(4-ethyl-2-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107666919
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine (CID 107666852) is 1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine is CCc1ccc(Oc2cc(Cl)ccc2CNC)c(OC)c1.
What is the InChIKey of 1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is RLDOGTWVRUIRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-12-5-8-15(17(9-12)20-3)21-16-10-14(18)7-6-13(16)11-19-2/h5-10,19H,4,11H2,1-3H3.
What are the key properties of 1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107666852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).