hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride

C17H22ClNO2 — CID 74765078

IUPAChydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
SMILESCNCCC(Oc1ccccc1OC)c1ccccc1.[Cl-].[H+]
InChIInChI=1S/C17H21NO2.ClH/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2;/h3-11,15,18H,12-13H2,1-2H3;1H
InChIKeyLCEURBZEQJZUPV-UHFFFAOYSA-N
MW307.82 g/mol
LogP0.54
Rot. Bonds7

About hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride

hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride (PubChem CID 74765078) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride.

Molecular Properties

Compound Namehydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
PubChem CID74765078
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Namehydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
SMILESCNCCC(Oc1ccccc1OC)c1ccccc1.[Cl-].[H+]
InChIInChI=1S/C17H21NO2.ClH/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2;/h3-11,15,18H,12-13H2,1-2H3;1H
InChIKeyLCEURBZEQJZUPV-UHFFFAOYSA-N
XLogP0.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
CID 161266462
bis(3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine);3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 67629133
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459
1-methoxy-2-[(1R)-2-methoxy-1-phenylethoxy]benzene
CID 139888612
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161
4-methoxy-2-[(1R)-3-(methylamino)-1-phenylpropoxy]benzonitrile
CID 54583932
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 146397496

Frequently Asked Questions

What is the IUPAC name of hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride?
The IUPAC name of hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride (CID 74765078) is hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride.
What is the SMILES notation for hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride?
The canonical SMILES for hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride is CNCCC(Oc1ccccc1OC)c1ccccc1.[Cl-].[H+].
What is the InChIKey of hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride?
The InChIKey is LCEURBZEQJZUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2;/h3-11,15,18H,12-13H2,1-2H3;1H.
What are the key properties of hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride?
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride has a molecular weight of 307.82 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride is sourced from PubChem (CID 74765078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).