1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine

C10H15NO — CID 122215032

IUPAC1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine
SMILES[2H]C([2H])(c1ccc(OC)cc1)N(C)C
InChIInChI=1S/C10H15NO/c1-11(2)8-9-4-6-10(12-3)7-5-9/h4-7H,8H2,1-3H3/i8D2
InChIKeyWMWQTUBQTYZJRI-MGVXTIMCSA-N
MW167.25 g/mol
LogP1.76
Rot. Bonds3

About 1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine

1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 122215032) has the molecular formula C10H15NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine
PubChem CID122215032
Molecular FormulaC10H15NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine
SMILES[2H]C([2H])(c1ccc(OC)cc1)N(C)C
InChIInChI=1S/C10H15NO/c1-11(2)8-9-4-6-10(12-3)7-5-9/h4-7H,8H2,1-3H3/i8D2
InChIKeyWMWQTUBQTYZJRI-MGVXTIMCSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
CID 166042056
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
CID 175604529
CID 175604529
(4-methoxyphenyl)methanol
CID 7738
trichloro-[(4-methoxyphenyl)methyl]silane
CID 11482253
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine
CID 106821852
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
ethane;(4-methoxyphenyl)methanethiol
CID 143963839

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine (CID 122215032) is 1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine is [2H]C([2H])(c1ccc(OC)cc1)N(C)C.
What is the InChIKey of 1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is WMWQTUBQTYZJRI-MGVXTIMCSA-N. The full InChI is InChI=1S/C10H15NO/c1-11(2)8-9-4-6-10(12-3)7-5-9/h4-7H,8H2,1-3H3/i8D2.
What are the key properties of 1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine?
1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 122215032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).