1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine

C19H24ClNO2 — CID 11530082

IUPAC1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(C(C)OC)cc1Oc1ccc(Cl)c(C)c1C
InChIInChI=1S/C19H24ClNO2/c1-12-13(2)18(9-8-17(12)20)23-19-10-15(14(3)22-5)6-7-16(19)11-21-4/h6-10,14,21H,11H2,1-5H3
InChIKeyCEUVSQBBXOVZNE-UHFFFAOYSA-N
MW333.86 g/mol
LogP5.18
Rot. Bonds6

About 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine

1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine (PubChem CID 11530082) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine
PubChem CID11530082
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(C(C)OC)cc1Oc1ccc(Cl)c(C)c1C
InChIInChI=1S/C19H24ClNO2/c1-12-13(2)18(9-8-17(12)20)23-19-10-15(14(3)22-5)6-7-16(19)11-21-4/h6-10,14,21H,11H2,1-5H3
InChIKeyCEUVSQBBXOVZNE-UHFFFAOYSA-N
XLogP5.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine
CID 69464347
[3-(4-chloro-2,3-dimethylphenoxy)-4-(methylaminomethyl)phenyl]-(3-fluorophenyl)methanol
CID 11560383
1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796314
1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
CID 84670375
1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84673745
1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine
CID 11559523
1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 11609901
1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 107666852
1-[4-bromo-2-(4-chloro-2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282565
1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282787
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine (CID 11530082) is 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine is CNCc1ccc(C(C)OC)cc1Oc1ccc(Cl)c(C)c1C.
What is the InChIKey of 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine?
The InChIKey is CEUVSQBBXOVZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-12-13(2)18(9-8-17(12)20)23-19-10-15(14(3)22-5)6-7-16(19)11-21-4/h6-10,14,21H,11H2,1-5H3.
What are the key properties of 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine?
1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine has a molecular weight of 333.86 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 11530082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).