(4-ethoxy-3-methylphenyl)-methoxymethanamine

C11H17NO2 — CID 116947277

IUPAC(4-ethoxy-3-methylphenyl)-methoxymethanamine
SMILESCCOc1ccc(C(N)OC)cc1C
InChIInChI=1S/C11H17NO2/c1-4-14-10-6-5-9(7-8(10)2)11(12)13-3/h5-7,11H,4,12H2,1-3H3
InChIKeyKCTDOGWNMSGGFS-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.00
Rot. Bonds4

About (4-ethoxy-3-methylphenyl)-methoxymethanamine

(4-ethoxy-3-methylphenyl)-methoxymethanamine (PubChem CID 116947277) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (4-ethoxy-3-methylphenyl)-methoxymethanamine.

Molecular Properties

Compound Name(4-ethoxy-3-methylphenyl)-methoxymethanamine
PubChem CID116947277
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(4-ethoxy-3-methylphenyl)-methoxymethanamine
SMILESCCOc1ccc(C(N)OC)cc1C
InChIInChI=1S/C11H17NO2/c1-4-14-10-6-5-9(7-8(10)2)11(12)13-3/h5-7,11H,4,12H2,1-3H3
InChIKeyKCTDOGWNMSGGFS-UHFFFAOYSA-N
XLogP2.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.00
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

1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1,3-diamino-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116942528
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
2-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methylphenyl)-methoxymethanamine?
The IUPAC name of (4-ethoxy-3-methylphenyl)-methoxymethanamine (CID 116947277) is (4-ethoxy-3-methylphenyl)-methoxymethanamine.
What is the SMILES notation for (4-ethoxy-3-methylphenyl)-methoxymethanamine?
The canonical SMILES for (4-ethoxy-3-methylphenyl)-methoxymethanamine is CCOc1ccc(C(N)OC)cc1C.
What is the InChIKey of (4-ethoxy-3-methylphenyl)-methoxymethanamine?
The InChIKey is KCTDOGWNMSGGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-14-10-6-5-9(7-8(10)2)11(12)13-3/h5-7,11H,4,12H2,1-3H3.
What are the key properties of (4-ethoxy-3-methylphenyl)-methoxymethanamine?
(4-ethoxy-3-methylphenyl)-methoxymethanamine has a molecular weight of 195.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methylphenyl)-methoxymethanamine is sourced from PubChem (CID 116947277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).