N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline

C24H27NO3 — CID 24807982

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(CCc2ccccc2NCc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C24H27NO3/c1-26-21-9-6-7-18(13-21)11-12-20-8-4-5-10-24(20)25-17-19-14-22(27-2)16-23(15-19)28-3/h4-10,13-16,25H,11-12,17H2,1-3H3
InChIKeyJRKBOIXWAUQLJK-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.11
Rot. Bonds9

About N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline

N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline (PubChem CID 24807982) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
PubChem CID24807982
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(CCc2ccccc2NCc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C24H27NO3/c1-26-21-9-6-7-18(13-21)11-12-20-8-4-5-10-24(20)25-17-19-14-22(27-2)16-23(15-19)28-3/h4-10,13-16,25H,11-12,17H2,1-3H3
InChIKeyJRKBOIXWAUQLJK-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-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline (CID 24807982) is N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline is COc1cccc(CCc2ccccc2NCc2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
The InChIKey is JRKBOIXWAUQLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-26-21-9-6-7-18(13-21)11-12-20-8-4-5-10-24(20)25-17-19-14-22(27-2)16-23(15-19)28-3/h4-10,13-16,25H,11-12,17H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
N-[(3,5-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-[(3,5-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 24807982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).