[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine

C26H26N4O2 — CID 102432953

IUPAC[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccnc(-c3cc(COc4ccc(CN)cc4)ccn3)c2)cc1
InChIInChI=1S/C26H26N4O2/c27-15-19-1-5-23(6-2-19)31-17-21-9-11-29-25(13-21)26-14-22(10-12-30-26)18-32-24-7-3-20(16-28)4-8-24/h1-14H,15-18,27-28H2
InChIKeyPMFPMQULIDNOOP-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.22
Rot. Bonds9

About [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine

[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine (PubChem CID 102432953) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine
PubChem CID102432953
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccnc(-c3cc(COc4ccc(CN)cc4)ccn3)c2)cc1
InChIInChI=1S/C26H26N4O2/c27-15-19-1-5-23(6-2-19)31-17-21-9-11-29-25(13-21)26-14-22(10-12-30-26)18-32-24-7-3-20(16-28)4-8-24/h1-14H,15-18,27-28H2
InChIKeyPMFPMQULIDNOOP-UHFFFAOYSA-N
XLogP4.22
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine with MolForge

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Related Compounds

[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
CID 20685429
[2-[4-(aminomethyl)phenyl]-4-pyridinyl]methanol
CID 150361039
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 63887885
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63882074
4-[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]sulfanylphenol
CID 15407959
[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate
CID 59600821
4-[(4-phenylphenoxy)methyl]pyridin-2-amine
CID 62466234

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine?
The IUPAC name of [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine (CID 102432953) is [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine.
What is the SMILES notation for [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine?
The canonical SMILES for [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine is NCc1ccc(OCc2ccnc(-c3cc(COc4ccc(CN)cc4)ccn3)c2)cc1.
What is the InChIKey of [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine?
The InChIKey is PMFPMQULIDNOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c27-15-19-1-5-23(6-2-19)31-17-21-9-11-29-25(13-21)26-14-22(10-12-30-26)18-32-24-7-3-20(16-28)4-8-24/h1-14H,15-18,27-28H2.
What are the key properties of [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine?
[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine has a molecular weight of 426.52 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine is sourced from PubChem (CID 102432953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).