dideuterio-[4-(dimethoxymethyl)phenyl]methanamine

C10H15NO2 — CID 89477743

IUPACdideuterio-[4-(dimethoxymethyl)phenyl]methanamine
SMILES[2H]C([2H])(N)c1ccc(C(OC)OC)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/i7D2
InChIKeyRSPXZDQFZRULSP-RJSZUWSASA-N
MW183.25 g/mol
LogP1.44
Rot. Bonds4

About dideuterio-[4-(dimethoxymethyl)phenyl]methanamine

dideuterio-[4-(dimethoxymethyl)phenyl]methanamine (PubChem CID 89477743) has the molecular formula C10H15NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is dideuterio-[4-(dimethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Namedideuterio-[4-(dimethoxymethyl)phenyl]methanamine
PubChem CID89477743
Molecular FormulaC10H15NO2
Molecular Weight183.25 g/mol
Exact Mass183.12
IUPAC Namedideuterio-[4-(dimethoxymethyl)phenyl]methanamine
SMILES[2H]C([2H])(N)c1ccc(C(OC)OC)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/i7D2
InChIKeyRSPXZDQFZRULSP-RJSZUWSASA-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 ≤ 500183.25
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

1-(dimethoxymethyl)-4-ethylbenzene
CID 20549049
2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine
CID 84780792
[4-(dimethoxymethyl)phenyl]-dimethylsilane
CID 150941180
N-[[4-(dimethoxymethyl)phenyl]methyl]prop-2-yn-1-amine
CID 118266829
[4-(1-methoxy-2-methylpropyl)phenyl]methanamine
CID 102547360
[4-(dimethoxymethyl)phenyl] carbamate
CID 174943505
5-(dimethoxymethyl)-2-phenylmethoxyaniline
CID 154099564
1-[4-(dimethoxymethyl)phenoxy]ethanol
CID 18551503
3-[methoxy(phenyl)methoxy]propane-1,2-diamine
CID 70238374
[4-(1,3-dimethoxypropyl)phenyl]methanamine
CID 172700562
2-bromo-1-chloro-4-(dimethoxymethyl)benzene
CID 15300643
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479

Frequently Asked Questions

What is the IUPAC name of dideuterio-[4-(dimethoxymethyl)phenyl]methanamine?
The IUPAC name of dideuterio-[4-(dimethoxymethyl)phenyl]methanamine (CID 89477743) is dideuterio-[4-(dimethoxymethyl)phenyl]methanamine.
What is the SMILES notation for dideuterio-[4-(dimethoxymethyl)phenyl]methanamine?
The canonical SMILES for dideuterio-[4-(dimethoxymethyl)phenyl]methanamine is [2H]C([2H])(N)c1ccc(C(OC)OC)cc1.
What is the InChIKey of dideuterio-[4-(dimethoxymethyl)phenyl]methanamine?
The InChIKey is RSPXZDQFZRULSP-RJSZUWSASA-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/i7D2.
What are the key properties of dideuterio-[4-(dimethoxymethyl)phenyl]methanamine?
dideuterio-[4-(dimethoxymethyl)phenyl]methanamine has a molecular weight of 183.25 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 dideuterio-[4-(dimethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 89477743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).