[4-(dimethoxymethyl)phenyl]methanamine

C10H15NO2 — CID 54283740

IUPAC[4-(dimethoxymethyl)phenyl]methanamine
SMILESCOC(OC)c1ccc(CN)cc1
InChIInChI=1S/C10H15NO2/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-6,10H,7,11H2,1-2H3
InChIKeyRSPXZDQFZRULSP-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.44
Rot. Bonds4

About [4-(dimethoxymethyl)phenyl]methanamine

[4-(dimethoxymethyl)phenyl]methanamine (PubChem CID 54283740) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [4-(dimethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(dimethoxymethyl)phenyl]methanamine
PubChem CID54283740
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[4-(dimethoxymethyl)phenyl]methanamine
SMILESCOC(OC)c1ccc(CN)cc1
InChIInChI=1S/C10H15NO2/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-6,10H,7,11H2,1-2H3
InChIKeyRSPXZDQFZRULSP-UHFFFAOYSA-N
XLogP1.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.44
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

Benzene, 1-(dimethoxymethyl)-4-methyl-
CID 76932
[4-(1,3-Dioxolan-2-yl)phenyl]methanamine
CID 10559254
2,2-Dimethoxy-2-phenylethan-1-amine
CID 13046681
(3-(Methoxymethyl)phenyl)methanamine
CID 16787292
4-(1,3-Dioxolan-2-yl)benzene-1-carbothioamide
CID 2778731
1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891
(4-((2,2,2-Trifluoroethoxy)methyl)phenyl)methanamine
CID 16227394
{4-[(Oxan-4-yloxy)methyl]phenyl}methanamine
CID 57656432
1-(4-Methoxymethylphenyl)ethylamine
CID 591393
[4-(2-Methyl-1,3-dioxolan-2-yl)phenyl]methanamine
CID 12435386
(4-((2-Methoxyethoxy)methyl)phenyl)methanamine
CID 18070546
(4-(Ethoxymethyl)phenyl)methanamine
CID 16784161

Frequently Asked Questions

What is the IUPAC name of [4-(dimethoxymethyl)phenyl]methanamine?
The IUPAC name of [4-(dimethoxymethyl)phenyl]methanamine (CID 54283740) is [4-(dimethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [4-(dimethoxymethyl)phenyl]methanamine?
The canonical SMILES for [4-(dimethoxymethyl)phenyl]methanamine is COC(OC)c1ccc(CN)cc1.
What is the InChIKey of [4-(dimethoxymethyl)phenyl]methanamine?
The InChIKey is RSPXZDQFZRULSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-6,10H,7,11H2,1-2H3.
What are the key properties of [4-(dimethoxymethyl)phenyl]methanamine?
[4-(dimethoxymethyl)phenyl]methanamine has a molecular weight of 181.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 54283740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).