1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine

C17H21NO — CID 58297766

IUPAC1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine
SMILES[2H]C([2H])(CC(Oc1ccc(C)cc1)c1ccccc1)NC
InChIInChI=1S/C17H21NO/c1-14-8-10-16(11-9-14)19-17(12-13-18-2)15-6-4-3-5-7-15/h3-11,17-18H,12-13H2,1-2H3/i13D2
InChIKeyHBZGYXADKHAYTM-KLTYLHELSA-N
MW257.37 g/mol
LogP3.72
Rot. Bonds6

About 1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine

1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine (PubChem CID 58297766) has the molecular formula C17H21NO and a molecular weight of 257.37 g/mol. Its IUPAC name is 1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine
PubChem CID58297766
Molecular FormulaC17H21NO
Molecular Weight257.37 g/mol
Exact Mass257.17
IUPAC Name1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine
SMILES[2H]C([2H])(CC(Oc1ccc(C)cc1)c1ccccc1)NC
InChIInChI=1S/C17H21NO/c1-14-8-10-16(11-9-14)19-17(12-13-18-2)15-6-4-3-5-7-15/h3-11,17-18H,12-13H2,1-2H3/i13D2
InChIKeyHBZGYXADKHAYTM-KLTYLHELSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,2,2-tetradeuterio-3-(4-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine
CID 58297848
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
CID 118530454
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine
CID 58297794
N,N-diethyl-2-(4-methylphenoxy)-2-phenylethanamine
CID 117067240
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456
4-[4-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol
CID 90229708
N-deuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 138402735

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine?
The IUPAC name of 1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine (CID 58297766) is 1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine.
What is the SMILES notation for 1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine?
The canonical SMILES for 1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine is [2H]C([2H])(CC(Oc1ccc(C)cc1)c1ccccc1)NC.
What is the InChIKey of 1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine?
The InChIKey is HBZGYXADKHAYTM-KLTYLHELSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-8-10-16(11-9-14)19-17(12-13-18-2)15-6-4-3-5-7-15/h3-11,17-18H,12-13H2,1-2H3/i13D2.
What are the key properties of 1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine?
1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine has a molecular weight of 257.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine is sourced from PubChem (CID 58297766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).