2-[(3-chloro-4-methoxyphenyl)methoxy]aniline

C14H14ClNO2 — CID 82133516

IUPAC2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2ccccc2N)cc1Cl
InChIInChI=1S/C14H14ClNO2/c1-17-13-7-6-10(8-11(13)15)9-18-14-5-3-2-4-12(14)16/h2-8H,9,16H2,1H3
InChIKeyZWGKDACMFUTZMQ-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.51
Rot. Bonds4

About 2-[(3-chloro-4-methoxyphenyl)methoxy]aniline

2-[(3-chloro-4-methoxyphenyl)methoxy]aniline (PubChem CID 82133516) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
PubChem CID82133516
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2ccccc2N)cc1Cl
InChIInChI=1S/C14H14ClNO2/c1-17-13-7-6-10(8-11(13)15)9-18-14-5-3-2-4-12(14)16/h2-8H,9,16H2,1H3
InChIKeyZWGKDACMFUTZMQ-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
2-chloro-5-[(2-methoxyphenoxy)methyl]aniline
CID 43349947
3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82354171
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
CID 139627675
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296
2-chloro-5-[(2-methylphenoxy)methyl]aniline
CID 43349942
[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742775
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 117220190

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methoxy]aniline?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methoxy]aniline (CID 82133516) is 2-[(3-chloro-4-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)methoxy]aniline is COc1ccc(COc2ccccc2N)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)methoxy]aniline?
The InChIKey is ZWGKDACMFUTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-17-13-7-6-10(8-11(13)15)9-18-14-5-3-2-4-12(14)16/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)methoxy]aniline?
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline has a molecular weight of 263.72 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 82133516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).