1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine

C17H20ClNO2 — CID 62912758

IUPAC1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine
SMILESCCOc1ccc(Oc2ccc(C(C)NC)cc2Cl)cc1
InChIInChI=1S/C17H20ClNO2/c1-4-20-14-6-8-15(9-7-14)21-17-10-5-13(11-16(17)18)12(2)19-3/h5-12,19H,4H2,1-3H3
InChIKeyARDULFQDYGJFJG-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.81
Rot. Bonds6

About 1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine

1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine (PubChem CID 62912758) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine
PubChem CID62912758
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine
SMILESCCOc1ccc(Oc2ccc(C(C)NC)cc2Cl)cc1
InChIInChI=1S/C17H20ClNO2/c1-4-20-14-6-8-15(9-7-14)21-17-10-5-13(11-16(17)18)12(2)19-3/h5-12,19H,4H2,1-3H3
InChIKeyARDULFQDYGJFJG-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
CID 63878644
N-methyl-1-[4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 43285096
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552
1-[3-chloro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 62912068
1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine
CID 62912252
1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
N-[1-[3-chloro-4-(4-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 63533466
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
1-[3-chloro-4-(3-ethoxyphenoxy)phenyl]ethanol
CID 62911183
1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine
CID 43285303

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine (CID 62912758) is 1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine is CCOc1ccc(Oc2ccc(C(C)NC)cc2Cl)cc1.
What is the InChIKey of 1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine?
The InChIKey is ARDULFQDYGJFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-20-14-6-8-15(9-7-14)21-17-10-5-13(11-16(17)18)12(2)19-3/h5-12,19H,4H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine?
1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 62912758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).