N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine

C21H23N3 — CID 11639693

IUPACN-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2cccc(CNCc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3/c1-3-8-18(9-4-1)14-22-16-20-12-7-13-21(24-20)17-23-15-19-10-5-2-6-11-19/h1-13,22-23H,14-17H2
InChIKeyJWHYMGGPFYBULZ-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.66
Rot. Bonds8

About N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine

N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 11639693) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
PubChem CID11639693
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2cccc(CNCc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3/c1-3-8-18(9-4-1)14-22-16-20-12-7-13-21(24-20)17-23-15-19-10-5-2-6-11-19/h1-13,22-23H,14-17H2
InChIKeyJWHYMGGPFYBULZ-UHFFFAOYSA-N
XLogP3.66
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine
CID 131974262
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
[6-[(benzylamino)methyl]-2-pyridinyl]methyl-ditert-butylphosphanium;chloro(hydrido)ruthenium(2+);methanone
CID 140812818
N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine
CID 46785098
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline
CID 78894850
N-[(6-bromo-2-pyridinyl)methyl]-1-(4-chlorophenyl)methanamine
CID 112581883
4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
CID 115978503

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine (CID 11639693) is N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine is c1ccc(CNCc2cccc(CNCc3ccccc3)n2)cc1.
What is the InChIKey of N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine?
The InChIKey is JWHYMGGPFYBULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-3-8-18(9-4-1)14-22-16-20-12-7-13-21(24-20)17-23-15-19-10-5-2-6-11-19/h1-13,22-23H,14-17H2.
What are the key properties of N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine?
N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 317.44 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 11639693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).