3-chloro-4-ethoxy-5-(methoxymethyl)aniline

C10H14ClNO2 — CID 13335751

IUPAC3-chloro-4-ethoxy-5-(methoxymethyl)aniline
SMILESCCOc1c(Cl)cc(N)cc1COC
InChIInChI=1S/C10H14ClNO2/c1-3-14-10-7(6-13-2)4-8(12)5-9(10)11/h4-5H,3,6,12H2,1-2H3
InChIKeyOSOXHOABQYSRST-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.47
Rot. Bonds4

About 3-chloro-4-ethoxy-5-(methoxymethyl)aniline

3-chloro-4-ethoxy-5-(methoxymethyl)aniline (PubChem CID 13335751) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-(methoxymethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-(methoxymethyl)aniline
PubChem CID13335751
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-chloro-4-ethoxy-5-(methoxymethyl)aniline
SMILESCCOc1c(Cl)cc(N)cc1COC
InChIInChI=1S/C10H14ClNO2/c1-3-14-10-7(6-13-2)4-8(12)5-9(10)11/h4-5H,3,6,12H2,1-2H3
InChIKeyOSOXHOABQYSRST-UHFFFAOYSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.47
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-((2-Chloro-4-(trifluoromethyl)phenoxy)methyl)aniline
CID 155146049
Aniline, 3-chloro-4-(octyloxy)-
CID 26246
4-Benzyloxy-3-chloroaniline
CID 1268285
3-Chloro-4-(3-fluorobenzyloxy)aniline
CID 7059263
3-Chloro-4-(2-methoxyethoxy)aniline
CID 6485749
3-(allyloxymethyl)-4-(2-choloethoxy) benzenamine oxalate salt
CID 53364038
3-Chloro-4-(propan-2-yloxy)aniline
CID 6500394
3-Chloro-4-ethoxyaniline
CID 12748736
3,5-Dichloro-4-ethoxyaniline
CID 15270884
3-Chloro-4-propoxybenzenamine
CID 16795288
3,5-Dichloro-4-(2-methoxyethoxy)aniline
CID 13852142
3-Chloro-4-(2-methylpropoxy)aniline hydrochloride
CID 42937476

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-(methoxymethyl)aniline?
The IUPAC name of 3-chloro-4-ethoxy-5-(methoxymethyl)aniline (CID 13335751) is 3-chloro-4-ethoxy-5-(methoxymethyl)aniline.
What is the SMILES notation for 3-chloro-4-ethoxy-5-(methoxymethyl)aniline?
The canonical SMILES for 3-chloro-4-ethoxy-5-(methoxymethyl)aniline is CCOc1c(Cl)cc(N)cc1COC.
What is the InChIKey of 3-chloro-4-ethoxy-5-(methoxymethyl)aniline?
The InChIKey is OSOXHOABQYSRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-3-14-10-7(6-13-2)4-8(12)5-9(10)11/h4-5H,3,6,12H2,1-2H3.
What are the key properties of 3-chloro-4-ethoxy-5-(methoxymethyl)aniline?
3-chloro-4-ethoxy-5-(methoxymethyl)aniline has a molecular weight of 215.68 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-(methoxymethyl)aniline is sourced from PubChem (CID 13335751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).