(2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium

C14H17N2+ — CID 7228260

IUPAC(2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium
SMILESCc1ccccc1C[NH2+]Cc1ccncc1
InChIInChI=1S/C14H16N2/c1-12-4-2-3-5-14(12)11-16-10-13-6-8-15-9-7-13/h2-9,16H,10-11H2,1H3/p+1
InChIKeyBAQUMWQESDDFQQ-UHFFFAOYSA-O
MW213.30 g/mol
LogP1.65
Rot. Bonds4

About (2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium

(2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium (PubChem CID 7228260) has the molecular formula C14H17N2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is (2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium.

Molecular Properties

Compound Name(2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium
PubChem CID7228260
Molecular FormulaC14H17N2+
Molecular Weight213.30 g/mol
Exact Mass213.14
IUPAC Name(2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium
SMILESCc1ccccc1C[NH2+]Cc1ccncc1
InChIInChI=1S/C14H16N2/c1-12-4-2-3-5-14(12)11-16-10-13-6-8-15-9-7-13/h2-9,16H,10-11H2,1H3/p+1
InChIKeyBAQUMWQESDDFQQ-UHFFFAOYSA-O
XLogP1.65
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium
CID 8898295
4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329
pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium
CID 6946563
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
[4-(2-methylphenyl)-1-pyridin-4-ylbutan-2-yl]hydrazine
CID 105317453
1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 54864805
2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 46996447
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615
(5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium
CID 7228232
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
CID 66447930
4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine
CID 66460372

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium?
The IUPAC name of (2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium (CID 7228260) is (2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium.
What is the SMILES notation for (2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium?
The canonical SMILES for (2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium is Cc1ccccc1C[NH2+]Cc1ccncc1.
What is the InChIKey of (2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium?
The InChIKey is BAQUMWQESDDFQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16N2/c1-12-4-2-3-5-14(12)11-16-10-13-6-8-15-9-7-13/h2-9,16H,10-11H2,1H3/p+1.
What are the key properties of (2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium?
(2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium has a molecular weight of 213.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl-(pyridin-4-ylmethyl)azanium is sourced from PubChem (CID 7228260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).