N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine

C17H21NO — CID 58297794

IUPACN-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine
SMILES[2H]c1c([2H])c([2H])c(C(CCNC)Oc2ccc(C)cc2)c([2H])c1[2H]
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/i3D,4D,5D,6D,7D
InChIKeyHBZGYXADKHAYTM-DKFMXDSJSA-N
MW260.39 g/mol
LogP3.72
Rot. Bonds6

About N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine

N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine (PubChem CID 58297794) has the molecular formula C17H21NO and a molecular weight of 260.39 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine
PubChem CID58297794
Molecular FormulaC17H21NO
Molecular Weight260.39 g/mol
Exact Mass260.19
IUPAC NameN-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine
SMILES[2H]c1c([2H])c([2H])c(C(CCNC)Oc2ccc(C)cc2)c([2H])c1[2H]
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/i3D,4D,5D,6D,7D
InChIKeyHBZGYXADKHAYTM-DKFMXDSJSA-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 ≤ 500260.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 57369117
(3R)-3-(2,4-dideuterio-6-methylphenoxy)-N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine
CID 87837897
1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine
CID 58297766
N-methyl-3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)propan-1-amine;hydrochloride
CID 87836979
1,1,2,2,3-pentadeuterio-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)propan-1-amine
CID 58297914
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938
(3R)-N-methyl-3-phenyl-3-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenoxy]propan-1-amine;hydrochloride
CID 87836929
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
2,2-dideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;1,1,2,2,3-pentadeuterio-3-phenyl-N-(trideuteriomethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;1,1,3-trideuterio-3-phenyl-N-(trideuteriomethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2,3-trideuterio-3-phenyl-N-(trideuteriomethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 162164792
3-deuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;1,1-dideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;1,1,2,2,3-pentadeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;1,1,2,2-tetradeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 162164791
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine (CID 58297794) is N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine is [2H]c1c([2H])c([2H])c(C(CCNC)Oc2ccc(C)cc2)c([2H])c1[2H].
What is the InChIKey of N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine?
The InChIKey is HBZGYXADKHAYTM-DKFMXDSJSA-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/i3D,4D,5D,6D,7D.
What are the key properties of N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine?
N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine has a molecular weight of 260.39 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 N-methyl-3-(4-methylphenoxy)-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-amine is sourced from PubChem (CID 58297794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).