1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine

C17H21NO2 — CID 166042056

IUPAC1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
SMILES[2H]C([2H])N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C17H21NO2/c1-18(12-14-4-8-16(19-2)9-5-14)13-15-6-10-17(20-3)11-7-15/h4-11H,12-13H2,1-3H3/i1D2
InChIKeyQQOGSEIHPAFZEB-DICFDUPASA-N
MW273.37 g/mol
LogP3.34
Rot. Bonds7

About 1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine

1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine (PubChem CID 166042056) has the molecular formula C17H21NO2 and a molecular weight of 273.37 g/mol. Its IUPAC name is 1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
PubChem CID166042056
Molecular FormulaC17H21NO2
Molecular Weight273.37 g/mol
Exact Mass273.17
IUPAC Name1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
SMILES[2H]C([2H])N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C17H21NO2/c1-18(12-14-4-8-16(19-2)9-5-14)13-15-6-10-17(20-3)11-7-15/h4-11H,12-13H2,1-3H3/i1D2
InChIKeyQQOGSEIHPAFZEB-DICFDUPASA-N
XLogP3.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 177326696
2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
CID 61417751
1-[(4-methoxyphenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79396292
ethane;(4-methoxyphenyl)methanethiol
CID 143963839

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine (CID 166042056) is 1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine is [2H]C([2H])N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of 1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine?
The InChIKey is QQOGSEIHPAFZEB-DICFDUPASA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(12-14-4-8-16(19-2)9-5-14)13-15-6-10-17(20-3)11-7-15/h4-11H,12-13H2,1-3H3/i1D2.
What are the key properties of 1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine?
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine has a molecular weight of 273.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 166042056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).