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

C19H24ClNO2 — CID 69464347

IUPAC2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine
SMILESCOC(C)c1ccc(CCN)c(Oc2ccc(Cl)c(C)c2C)c1
InChIInChI=1S/C19H24ClNO2/c1-12-13(2)18(8-7-17(12)20)23-19-11-16(14(3)22-4)6-5-15(19)9-10-21/h5-8,11,14H,9-10,21H2,1-4H3
InChIKeyJAMQRJVWDWNCBP-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.96
Rot. Bonds6

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

2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine (PubChem CID 69464347) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine
PubChem CID69464347
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine
SMILESCOC(C)c1ccc(CCN)c(Oc2ccc(Cl)c(C)c2C)c1
InChIInChI=1S/C19H24ClNO2/c1-12-13(2)18(8-7-17(12)20)23-19-11-16(14(3)22-4)6-5-15(19)9-10-21/h5-8,11,14H,9-10,21H2,1-4H3
InChIKeyJAMQRJVWDWNCBP-UHFFFAOYSA-N
XLogP4.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine
CID 11530082
2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 114863207
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine
CID 69464185
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
[3-(4-chloro-2,3-dimethylphenoxy)-4-(methylaminomethyl)phenyl]-(3-fluorophenyl)methanol
CID 11560383
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine
CID 69464363
2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine
CID 95226468
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine (CID 69464347) is 2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine is COC(C)c1ccc(CCN)c(Oc2ccc(Cl)c(C)c2C)c1.
What is the InChIKey of 2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine?
The InChIKey is JAMQRJVWDWNCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-12-13(2)18(8-7-17(12)20)23-19-11-16(14(3)22-4)6-5-15(19)9-10-21/h5-8,11,14H,9-10,21H2,1-4H3.
What are the key properties of 2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine?
2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine has a molecular weight of 333.86 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]ethanamine is sourced from PubChem (CID 69464347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).