3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline

C15H16ClNO3 — CID 62057318

IUPAC3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
SMILESCOc1ccc(OCCOc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C15H16ClNO3/c1-18-12-3-5-13(6-4-12)19-8-9-20-15-7-2-11(17)10-14(15)16/h2-7,10H,8-9,17H2,1H3
InChIKeyCAQHUYQZFORFFZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.39
Rot. Bonds6

About 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline

3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline (PubChem CID 62057318) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
PubChem CID62057318
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
SMILESCOc1ccc(OCCOc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C15H16ClNO3/c1-18-12-3-5-13(6-4-12)19-8-9-20-15-7-2-11(17)10-14(15)16/h2-7,10H,8-9,17H2,1H3
InChIKeyCAQHUYQZFORFFZ-UHFFFAOYSA-N
XLogP3.39
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
3-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587104
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
CID 171150550
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
3-chloro-4-nonoxyaniline
CID 43129005
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
CID 43365979
ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate
CID 59442207
methyl 4-(4-amino-2-chlorophenoxy)butanoate
CID 43377677
2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene
CID 2898830

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline?
The IUPAC name of 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline (CID 62057318) is 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline.
What is the SMILES notation for 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline?
The canonical SMILES for 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline is COc1ccc(OCCOc2ccc(N)cc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline?
The InChIKey is CAQHUYQZFORFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-18-12-3-5-13(6-4-12)19-8-9-20-15-7-2-11(17)10-14(15)16/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline?
3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline has a molecular weight of 293.75 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline is sourced from PubChem (CID 62057318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).