N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine

C20H20N2 — CID 10334318

IUPACN-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(Cc2ccc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C20H20N2/c1-16-7-9-17(10-8-16)13-19-11-12-20(22-15-19)21-14-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,21,22)
InChIKeyNETVWRRGKCLPNB-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.59
Rot. Bonds5

About N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine

N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 10334318) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine
PubChem CID10334318
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(Cc2ccc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C20H20N2/c1-16-7-9-17(10-8-16)13-19-11-12-20(22-15-19)21-14-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,21,22)
InChIKeyNETVWRRGKCLPNB-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-ethylpyridin-2-amine
CID 53404811
N-benzyl-5-phenylpyridin-2-amine
CID 24949412
5-hydrazinyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 82055033
(5-benzyl-2-pyridinyl)hydrazine
CID 70490189
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine
CID 54936126
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
1-benzyl-4-methylbenzene;toluene
CID 144690555
6-[(4-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 24695549
N-benzyl-5-ethenylpyridin-2-amine
CID 102546692
[6-(benzylamino)-3-pyridinyl]boronic acid
CID 118734755
N-benzyl-5-cyclopropylpyridin-2-amine
CID 171486332

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine (CID 10334318) is N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine is Cc1ccc(Cc2ccc(NCc3ccccc3)nc2)cc1.
What is the InChIKey of N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is NETVWRRGKCLPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-16-7-9-17(10-8-16)13-19-11-12-20(22-15-19)21-14-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,21,22).
What are the key properties of N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine?
N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 288.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 10334318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).