3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline

C22H24N2O2 — CID 23656764

IUPAC3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline
SMILESCOc1cccc(NCc2ccc(CNc3cccc(OC)c3)cc2)c1
InChIInChI=1S/C22H24N2O2/c1-25-21-7-3-5-19(13-21)23-15-17-9-11-18(12-10-17)16-24-20-6-4-8-22(14-20)26-2/h3-14,23-24H,15-16H2,1-2H3
InChIKeySXDOGZYSINLLPH-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.93
Rot. Bonds8

About 3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline

3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline (PubChem CID 23656764) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline
PubChem CID23656764
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline
SMILESCOc1cccc(NCc2ccc(CNc3cccc(OC)c3)cc2)c1
InChIInChI=1S/C22H24N2O2/c1-25-21-7-3-5-19(13-21)23-15-17-9-11-18(12-10-17)16-24-20-6-4-8-22(14-20)26-2/h3-14,23-24H,15-16H2,1-2H3
InChIKeySXDOGZYSINLLPH-UHFFFAOYSA-N
XLogP4.93
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Phenmedipham
CID 24744
N-(3-methoxyphenyl)piperazine
CID 81430
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
N,N'-Bis(3-methoxyphenyl)terephthalamide
CID 248372
(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide
CID 795596
N-(4-Methoxybenzyl)aniline
CID 408377
AAE-M-PBP-amine
CID 24763223
1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline?
The IUPAC name of 3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline (CID 23656764) is 3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline.
What is the SMILES notation for 3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline?
The canonical SMILES for 3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline is COc1cccc(NCc2ccc(CNc3cccc(OC)c3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline?
The InChIKey is SXDOGZYSINLLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-25-21-7-3-5-19(13-21)23-15-17-9-11-18(12-10-17)16-24-20-6-4-8-22(14-20)26-2/h3-14,23-24H,15-16H2,1-2H3.
What are the key properties of 3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline?
3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline has a molecular weight of 348.45 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[4-[(3-methoxyanilino)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 23656764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).