2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine

C15H16ClNO2 — CID 118338803

IUPAC2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2/c1-18-15-10-11(8-9-17)2-7-14(15)19-13-5-3-12(16)4-6-13/h2-7,10H,8-9,17H2,1H3
InChIKeyXYZWGXDJXPHGLC-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.64
Rot. Bonds5

About 2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine

2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine (PubChem CID 118338803) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
PubChem CID118338803
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2/c1-18-15-10-11(8-9-17)2-7-14(15)19-13-5-3-12(16)4-6-13/h2-7,10H,8-9,17H2,1H3
InChIKeyXYZWGXDJXPHGLC-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

2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[4-(2-methoxyphenoxy)phenyl]ethanamine
CID 20986924
4-[4-[[4-(4-aminophenoxy)-3-methoxyphenyl]methyl]-2-methoxyphenoxy]aniline
CID 18926100
2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 22685432
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoxy]-3-methoxyphenyl]ethanamine
CID 18620192
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
CID 107668910
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 81160567
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine (CID 118338803) is 2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine is COc1cc(CCN)ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine?
The InChIKey is XYZWGXDJXPHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-18-15-10-11(8-9-17)2-7-14(15)19-13-5-3-12(16)4-6-13/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine?
2-[4-(4-chlorophenoxy)-3-methoxyphenyl]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-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 118338803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).