1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine

C17H20ClNO — CID 61033591

IUPAC1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C17H20ClNO/c1-4-19-12(2)13-6-5-7-14(10-13)16-11-15(18)8-9-17(16)20-3/h5-12,19H,4H2,1-3H3
InChIKeyXGPMJQZPUDVTQD-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.69
Rot. Bonds5

About 1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine

1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine (PubChem CID 61033591) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
PubChem CID61033591
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C17H20ClNO/c1-4-19-12(2)13-6-5-7-14(10-13)16-11-15(18)8-9-17(16)20-3/h5-12,19H,4H2,1-3H3
InChIKeyXGPMJQZPUDVTQD-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
CID 61033468
1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 115504411
1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine
CID 140524839
1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine
CID 62801214
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
CID 54911693
1-[3-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 79167858
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 79170877
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910
(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81368416
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
CID 113324686

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine (CID 61033591) is 1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine is CCNC(C)c1cccc(-c2cc(Cl)ccc2OC)c1.
What is the InChIKey of 1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine?
The InChIKey is XGPMJQZPUDVTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-19-12(2)13-6-5-7-14(10-13)16-11-15(18)8-9-17(16)20-3/h5-12,19H,4H2,1-3H3.
What are the key properties of 1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine?
1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 61033591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).