N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine

C14H15N5 — CID 114401895

IUPACN-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine
SMILESCNCCc1ccccc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C14H15N5/c1-15-7-6-10-4-2-3-5-11(10)13-18-12-8-16-9-17-14(12)19-13/h2-5,8-9,15H,6-7H2,1H3,(H,16,17,18,19)
InChIKeyBZVCYWNQGLPKRW-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.78
Rot. Bonds4

About N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine

N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine (PubChem CID 114401895) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine
PubChem CID114401895
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine
SMILESCNCCc1ccccc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C14H15N5/c1-15-7-6-10-4-2-3-5-11(10)13-18-12-8-16-9-17-14(12)19-13/h2-5,8-9,15H,6-7H2,1H3,(H,16,17,18,19)
InChIKeyBZVCYWNQGLPKRW-UHFFFAOYSA-N
XLogP1.78
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
CID 104547214
8-(2-tert-butylphenyl)-7H-purine
CID 114402739
2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine
CID 104547190
2-bromo-6-(7H-purin-8-yl)aniline
CID 114401929
5-(7H-purin-8-yl)quinoxaline
CID 114402530
2-methoxy-6-(7H-purin-8-yl)phenol
CID 137000895
8-(2,5-dimethoxyphenyl)-7H-purine
CID 114402502
N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine
CID 104548872
2-methoxy-3-phenyl-6-(7H-purin-8-yl)benzonitrile
CID 69031372
3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride
CID 45259713
2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline
CID 114402115
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine (CID 114401895) is N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine is CNCCc1ccccc1-c1nc2ncncc2[nH]1.
What is the InChIKey of N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine?
The InChIKey is BZVCYWNQGLPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-15-7-6-10-4-2-3-5-11(10)13-18-12-8-16-9-17-14(12)19-13/h2-5,8-9,15H,6-7H2,1H3,(H,16,17,18,19).
What are the key properties of N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine?
N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine is sourced from PubChem (CID 114401895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).