N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline

C24H27NO3 — CID 24808344

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(CCc2ccccc2NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C24H27NO3/c1-26-21-9-6-7-18(15-21)11-13-20-8-4-5-10-22(20)25-17-19-12-14-23(27-2)24(16-19)28-3/h4-10,12,14-16,25H,11,13,17H2,1-3H3
InChIKeyIPXHDKAGTKPTNS-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.11
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline

N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline (PubChem CID 24808344) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
PubChem CID24808344
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(CCc2ccccc2NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C24H27NO3/c1-26-21-9-6-7-18(15-21)11-13-20-8-4-5-10-22(20)25-17-19-12-14-23(27-2)24(16-19)28-3/h4-10,12,14-16,25H,11,13,17H2,1-3H3
InChIKeyIPXHDKAGTKPTNS-UHFFFAOYSA-N
XLogP5.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline (CID 24808344) is N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline is COc1cccc(CCc2ccccc2NCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
The InChIKey is IPXHDKAGTKPTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-26-21-9-6-7-18(15-21)11-13-20-8-4-5-10-22(20)25-17-19-12-14-23(27-2)24(16-19)28-3/h4-10,12,14-16,25H,11,13,17H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline has a molecular weight of 377.48 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 24808344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).