2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine

C17H20ClNO2 — CID 69464185

IUPAC2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine
SMILESCOc1cccc(Oc2cc(Cl)c(C)cc2CCN)c1C
InChIInChI=1S/C17H20ClNO2/c1-11-9-13(7-8-19)17(10-14(11)18)21-16-6-4-5-15(20-3)12(16)2/h4-6,9-10H,7-8,19H2,1-3H3
InChIKeyPJTISHREMSBTPW-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.26
Rot. Bonds5

About 2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine

2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine (PubChem CID 69464185) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine
PubChem CID69464185
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine
SMILESCOc1cccc(Oc2cc(Cl)c(C)cc2CCN)c1C
InChIInChI=1S/C17H20ClNO2/c1-11-9-13(7-8-19)17(10-14(11)18)21-16-6-4-5-15(20-3)12(16)2/h4-6,9-10H,7-8,19H2,1-3H3
InChIKeyPJTISHREMSBTPW-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine
CID 91366090
1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 11609901
2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 81166256
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815071
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine?
The IUPAC name of 2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine (CID 69464185) is 2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine is COc1cccc(Oc2cc(Cl)c(C)cc2CCN)c1C.
What is the InChIKey of 2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine?
The InChIKey is PJTISHREMSBTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-9-13(7-8-19)17(10-14(11)18)21-16-6-4-5-15(20-3)12(16)2/h4-6,9-10H,7-8,19H2,1-3H3.
What are the key properties of 2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine?
2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine is sourced from PubChem (CID 69464185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).