[4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine

C20H22N4 — CID 68592017

IUPAC[4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CN)c(Cc2ccccn2)c1Cc1ccccn1
InChIInChI=1S/C20H22N4/c21-13-15-7-8-16(14-22)20(12-18-6-2-4-10-24-18)19(15)11-17-5-1-3-9-23-17/h1-10H,11-14,21-22H2
InChIKeyBFIQAJHLEPEXOV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.58
Rot. Bonds6

About [4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine

[4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine (PubChem CID 68592017) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine
PubChem CID68592017
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name[4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CN)c(Cc2ccccn2)c1Cc1ccccn1
InChIInChI=1S/C20H22N4/c21-13-15-7-8-16(14-22)20(12-18-6-2-4-10-24-18)19(15)11-17-5-1-3-9-23-17/h1-10H,11-14,21-22H2
InChIKeyBFIQAJHLEPEXOV-UHFFFAOYSA-N
XLogP2.58
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(pyridin-2-ylmethyl)phenyl]methanamine
CID 66161310
ethane;pyridin-2-ylmethanamine
CID 90791011
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
3-fluoro-4-(pyridin-2-ylmethyl)aniline
CID 54086416
4-(pyridin-2-ylmethyl)pyridazine-3,5-diamine
CID 175978726
benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol
CID 175372198
4-chloro-2-(pyridin-2-ylmethyl)aniline
CID 14005180
2-[(4-naphthalen-1-ylnaphthalen-1-yl)methyl]pyridine
CID 58939537
5-fluoro-2-(pyridin-2-ylmethyl)phenol
CID 83129937
2-(2-fluoroethyl)pyridine
CID 23246235
[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 113277219
3-(aminomethyl)-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 107073142

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine?
The IUPAC name of [4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine (CID 68592017) is [4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine?
The canonical SMILES for [4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine is NCc1ccc(CN)c(Cc2ccccn2)c1Cc1ccccn1.
What is the InChIKey of [4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine?
The InChIKey is BFIQAJHLEPEXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c21-13-15-7-8-16(14-22)20(12-18-6-2-4-10-24-18)19(15)11-17-5-1-3-9-23-17/h1-10H,11-14,21-22H2.
What are the key properties of [4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine?
[4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine has a molecular weight of 318.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 68592017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).