2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine

C17H20ClNO2 — CID 103435231

IUPAC2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
SMILESCOc1c(C(N)COc2cccc(Cl)c2)ccc(C)c1C
InChIInChI=1S/C17H20ClNO2/c1-11-7-8-15(17(20-3)12(11)2)16(19)10-21-14-6-4-5-13(18)9-14/h4-9,16H,10,19H2,1-3H3
InChIKeyXJOPLILGLQMDHW-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.04
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine

2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine (PubChem CID 103435231) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
PubChem CID103435231
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
SMILESCOc1c(C(N)COc2cccc(Cl)c2)ccc(C)c1C
InChIInChI=1S/C17H20ClNO2/c1-11-7-8-15(17(20-3)12(11)2)16(19)10-21-14-6-4-5-13(18)9-14/h4-9,16H,10,19H2,1-3H3
InChIKeyXJOPLILGLQMDHW-UHFFFAOYSA-N
XLogP4.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433297
1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105140888
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105164447
2-(2-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433437
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960
2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115241
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
1-(3-chlorophenoxy)but-3-en-2-amine
CID 105161067
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine (CID 103435231) is 2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine is COc1c(C(N)COc2cccc(Cl)c2)ccc(C)c1C.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
The InChIKey is XJOPLILGLQMDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-7-8-15(17(20-3)12(11)2)16(19)10-21-14-6-4-5-13(18)9-14/h4-9,16H,10,19H2,1-3H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 103435231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).