N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine

C20H27NO3 — CID 119164539

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H27NO3/c1-15(13-17-7-5-6-8-18(17)22-2)21-12-11-16-9-10-19(23-3)20(14-16)24-4/h5-10,14-15,21H,11-13H2,1-4H3
InChIKeyRHINQWHMKKXYGE-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.48
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 119164539) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
PubChem CID119164539
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H27NO3/c1-15(13-17-7-5-6-8-18(17)22-2)21-12-11-16-9-10-19(23-3)20(14-16)24-4/h5-10,14-15,21H,11-13H2,1-4H3
InChIKeyRHINQWHMKKXYGE-UHFFFAOYSA-N
XLogP3.48
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 43767012
1-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine;formic acid
CID 171992261
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-iodo-5-methoxyphenyl)propan-2-amine
CID 129362720
(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 7446049
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103910225
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 90486198

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine (CID 119164539) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(C)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is RHINQWHMKKXYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-15(13-17-7-5-6-8-18(17)22-2)21-12-11-16-9-10-19(23-3)20(14-16)24-4/h5-10,14-15,21H,11-13H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 329.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 119164539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).