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

C14H14ClNO2 — CID 19626986

IUPAC3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
SMILESCOc1cccc(COc2ccc(N)cc2Cl)c1
InChIInChI=1S/C14H14ClNO2/c1-17-12-4-2-3-10(7-12)9-18-14-6-5-11(16)8-13(14)15/h2-8H,9,16H2,1H3
InChIKeyZVSAHHDOHQWVFY-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.51
Rot. Bonds4

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

3-chloro-4-[(3-methoxyphenyl)methoxy]aniline (PubChem CID 19626986) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-chloro-4-[(3-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
PubChem CID19626986
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
SMILESCOc1cccc(COc2ccc(N)cc2Cl)c1
InChIInChI=1S/C14H14ClNO2/c1-17-12-4-2-3-10(7-12)9-18-14-6-5-11(16)8-13(14)15/h2-8H,9,16H2,1H3
InChIKeyZVSAHHDOHQWVFY-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

3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 61388847
3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82354171
1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 62910844
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-methoxyphenyl)methoxy]aniline?
The IUPAC name of 3-chloro-4-[(3-methoxyphenyl)methoxy]aniline (CID 19626986) is 3-chloro-4-[(3-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 3-chloro-4-[(3-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 3-chloro-4-[(3-methoxyphenyl)methoxy]aniline is COc1cccc(COc2ccc(N)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-[(3-methoxyphenyl)methoxy]aniline?
The InChIKey is ZVSAHHDOHQWVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-17-12-4-2-3-10(7-12)9-18-14-6-5-11(16)8-13(14)15/h2-8H,9,16H2,1H3.
What are the key properties of 3-chloro-4-[(3-methoxyphenyl)methoxy]aniline?
3-chloro-4-[(3-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 3-chloro-4-[(3-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 19626986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).