N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine

C31H33NO2 — CID 20552821

IUPACN,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine
SMILESCOc1ccccc1COC(CCN(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NO2/c1-33-30-20-12-11-19-29(30)25-34-31(28-17-9-4-10-18-28)21-22-32(23-26-13-5-2-6-14-26)24-27-15-7-3-8-16-27/h2-20,31H,21-25H2,1H3
InChIKeyGWBGDRLYLVOUDI-UHFFFAOYSA-N
MW451.61 g/mol
LogP7.05
Rot. Bonds12

About N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine

N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine (PubChem CID 20552821) has the molecular formula C31H33NO2 and a molecular weight of 451.61 g/mol. Its IUPAC name is N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine
PubChem CID20552821
Molecular FormulaC31H33NO2
Molecular Weight451.61 g/mol
Exact Mass451.25
IUPAC NameN,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine
SMILESCOc1ccccc1COC(CCN(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NO2/c1-33-30-20-12-11-19-29(30)25-34-31(28-17-9-4-10-18-28)21-22-32(23-26-13-5-2-6-14-26)24-27-15-7-3-8-16-27/h2-20,31H,21-25H2,1H3
InChIKeyGWBGDRLYLVOUDI-UHFFFAOYSA-N
XLogP7.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene
CID 57033234
3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
CID 161266462
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
CID 154665730
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118
N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
CID 2244864
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
N,N-dibenzyl-3-propan-2-yloxypropan-1-amine
CID 112820656
1-[benzyl-[(2-methoxyphenyl)methyl]amino]hex-5-en-2-ol
CID 46007693
N-benzyl-N-[(4-methoxy-2,3-dimethylphenyl)methyl]butan-1-amine
CID 2244814
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
(2S)-1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164224
3-[(2-methoxyphenyl)methoxy]-1-phenylpropan-1-amine
CID 57274569

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine?
The IUPAC name of N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine (CID 20552821) is N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine.
What is the SMILES notation for N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine?
The canonical SMILES for N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine is COc1ccccc1COC(CCN(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine?
The InChIKey is GWBGDRLYLVOUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO2/c1-33-30-20-12-11-19-29(30)25-34-31(28-17-9-4-10-18-28)21-22-32(23-26-13-5-2-6-14-26)24-27-15-7-3-8-16-27/h2-20,31H,21-25H2,1H3.
What are the key properties of N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine?
N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine has a molecular weight of 451.61 g/mol, XLogP of 7.05, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine is sourced from PubChem (CID 20552821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).