2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine

C15H16ClNO2 — CID 114862794

IUPAC2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
SMILESCOc1cccc(Oc2ccc(Cl)cc2CCN)c1
InChIInChI=1S/C15H16ClNO2/c1-18-13-3-2-4-14(10-13)19-15-6-5-12(16)9-11(15)7-8-17/h2-6,9-10H,7-8,17H2,1H3
InChIKeyMRPXRRXDOKNNPZ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.64
Rot. Bonds5

About 2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine

2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine (PubChem CID 114862794) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
PubChem CID114862794
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
SMILESCOc1cccc(Oc2ccc(Cl)cc2CCN)c1
InChIInChI=1S/C15H16ClNO2/c1-18-13-3-2-4-14(10-13)19-15-6-5-12(16)9-11(15)7-8-17/h2-6,9-10H,7-8,17H2,1H3
InChIKeyMRPXRRXDOKNNPZ-UHFFFAOYSA-N
XLogP3.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
CID 62494201
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63456890
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine
CID 69464363
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
CID 107668910
1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine
CID 114862793
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline
CID 114863221
4-chloro-2-(chloromethyl)-1-(3-propan-2-ylphenoxy)benzene
CID 114846940

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine (CID 114862794) is 2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine is COc1cccc(Oc2ccc(Cl)cc2CCN)c1.
What is the InChIKey of 2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine?
The InChIKey is MRPXRRXDOKNNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-18-13-3-2-4-14(10-13)19-15-6-5-12(16)9-11(15)7-8-17/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine?
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine has a molecular weight of 277.75 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 114862794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).