(3-chloro-4-ethoxyphenyl)-methoxymethanamine

C10H14ClNO2 — CID 116947279

IUPAC(3-chloro-4-ethoxyphenyl)-methoxymethanamine
SMILESCCOc1ccc(C(N)OC)cc1Cl
InChIInChI=1S/C10H14ClNO2/c1-3-14-9-5-4-7(6-8(9)11)10(12)13-2/h4-6,10H,3,12H2,1-2H3
InChIKeyOZYHJEIFHQXALE-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.34
Rot. Bonds4

About (3-chloro-4-ethoxyphenyl)-methoxymethanamine

(3-chloro-4-ethoxyphenyl)-methoxymethanamine (PubChem CID 116947279) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is (3-chloro-4-ethoxyphenyl)-methoxymethanamine.

Molecular Properties

Compound Name(3-chloro-4-ethoxyphenyl)-methoxymethanamine
PubChem CID116947279
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name(3-chloro-4-ethoxyphenyl)-methoxymethanamine
SMILESCCOc1ccc(C(N)OC)cc1Cl
InChIInChI=1S/C10H14ClNO2/c1-3-14-9-5-4-7(6-8(9)11)10(12)13-2/h4-6,10H,3,12H2,1-2H3
InChIKeyOZYHJEIFHQXALE-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine
CID 116947040
1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 116934896
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775
1-(3-chloro-4-ethoxyphenyl)-2-methylbutane-1,4-diamine
CID 116934028
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
CID 116915052
(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine
CID 116835164

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-ethoxyphenyl)-methoxymethanamine?
The IUPAC name of (3-chloro-4-ethoxyphenyl)-methoxymethanamine (CID 116947279) is (3-chloro-4-ethoxyphenyl)-methoxymethanamine.
What is the SMILES notation for (3-chloro-4-ethoxyphenyl)-methoxymethanamine?
The canonical SMILES for (3-chloro-4-ethoxyphenyl)-methoxymethanamine is CCOc1ccc(C(N)OC)cc1Cl.
What is the InChIKey of (3-chloro-4-ethoxyphenyl)-methoxymethanamine?
The InChIKey is OZYHJEIFHQXALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-3-14-9-5-4-7(6-8(9)11)10(12)13-2/h4-6,10H,3,12H2,1-2H3.
What are the key properties of (3-chloro-4-ethoxyphenyl)-methoxymethanamine?
(3-chloro-4-ethoxyphenyl)-methoxymethanamine has a molecular weight of 215.68 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-ethoxyphenyl)-methoxymethanamine is sourced from PubChem (CID 116947279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).