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

C14H14ClNO2 — CID 117220355

IUPAC2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
SMILESCOc1cccc(OCc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C14H14ClNO2/c1-17-11-3-2-4-12(8-11)18-9-10-5-6-14(16)13(15)7-10/h2-8H,9,16H2,1H3
InChIKeyYYVXEFFRMFBYNX-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.51
Rot. Bonds4

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

2-chloro-4-[(3-methoxyphenoxy)methyl]aniline (PubChem CID 117220355) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-4-[(3-methoxyphenoxy)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
PubChem CID117220355
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
SMILESCOc1cccc(OCc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C14H14ClNO2/c1-17-11-3-2-4-12(8-11)18-9-10-5-6-14(16)13(15)7-10/h2-8H,9,16H2,1H3
InChIKeyYYVXEFFRMFBYNX-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-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82354171
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
4-[(4-tert-butylphenyl)methoxy]-2-chloroaniline
CID 63404633
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
5-methoxy-2-(3-phenylmethoxyphenoxy)aniline
CID 166611417
2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63992724
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-methoxyphenoxy)methyl]aniline?
The IUPAC name of 2-chloro-4-[(3-methoxyphenoxy)methyl]aniline (CID 117220355) is 2-chloro-4-[(3-methoxyphenoxy)methyl]aniline.
What is the SMILES notation for 2-chloro-4-[(3-methoxyphenoxy)methyl]aniline?
The canonical SMILES for 2-chloro-4-[(3-methoxyphenoxy)methyl]aniline is COc1cccc(OCc2ccc(N)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-[(3-methoxyphenoxy)methyl]aniline?
The InChIKey is YYVXEFFRMFBYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-17-11-3-2-4-12(8-11)18-9-10-5-6-14(16)13(15)7-10/h2-8H,9,16H2,1H3.
What are the key properties of 2-chloro-4-[(3-methoxyphenoxy)methyl]aniline?
2-chloro-4-[(3-methoxyphenoxy)methyl]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-chloro-4-[(3-methoxyphenoxy)methyl]aniline is sourced from PubChem (CID 117220355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).