3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine

C35H44N2O4 — CID 161266462

IUPAC3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(OCc1ccccc1OC)c1ccccc1.CNCCC(Oc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H23NO2.C17H21NO2/c1-19-13-12-18(15-8-4-3-5-9-15)21-14-16-10-6-7-11-17(16)20-2;1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,18-19H,12-14H2,1-2H3;3-11,15,18H,12-13H2,1-2H3
InChIKeyVDGFKAIADATVLB-UHFFFAOYSA-N
MW556.75 g/mol
LogP6.99
Rot. Bonds15

About 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine

3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine (PubChem CID 161266462) has the molecular formula C35H44N2O4 and a molecular weight of 556.75 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
PubChem CID161266462
Molecular FormulaC35H44N2O4
Molecular Weight556.75 g/mol
Exact Mass556.33
IUPAC Name3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(OCc1ccccc1OC)c1ccccc1.CNCCC(Oc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H23NO2.C17H21NO2/c1-19-13-12-18(15-8-4-3-5-9-15)21-14-16-10-6-7-11-17(16)20-2;1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,18-19H,12-14H2,1-2H3;3-11,15,18H,12-13H2,1-2H3
InChIKeyVDGFKAIADATVLB-UHFFFAOYSA-N
XLogP6.99
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459
N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene
CID 57033234
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
N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine
CID 20552821
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
1-methoxy-2-[(1R)-2-methoxy-1-phenylethoxy]benzene
CID 139888612
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine (CID 161266462) is 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine is CNCCC(OCc1ccccc1OC)c1ccccc1.CNCCC(Oc1ccccc1OC)c1ccccc1.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine?
The InChIKey is VDGFKAIADATVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.C17H21NO2/c1-19-13-12-18(15-8-4-3-5-9-15)21-14-16-10-6-7-11-17(16)20-2;1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,18-19H,12-14H2,1-2H3;3-11,15,18H,12-13H2,1-2H3.
What are the key properties of 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine?
3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine has a molecular weight of 556.75 g/mol, XLogP of 6.99, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 161266462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).