2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline

C14H15N5 — CID 114402115

IUPAC2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline
SMILESCc1ccccc1NCCc1nc2ncncc2[nH]1
InChIInChI=1S/C14H15N5/c1-10-4-2-3-5-11(10)16-7-6-13-18-12-8-15-9-17-14(12)19-13/h2-5,8-9,16H,6-7H2,1H3,(H,15,17,18,19)
InChIKeyZUGNMVMMCYDQMI-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline

2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline (PubChem CID 114402115) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline
PubChem CID114402115
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline
SMILESCc1ccccc1NCCc1nc2ncncc2[nH]1
InChIInChI=1S/C14H15N5/c1-10-4-2-3-5-11(10)16-7-6-13-18-12-8-15-9-17-14(12)19-13/h2-5,8-9,16H,6-7H2,1H3,(H,15,17,18,19)
InChIKeyZUGNMVMMCYDQMI-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 61360611
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline
CID 82005404
8-(3-phenylpropyl)-7H-purine
CID 114402499
2-(7H-purin-8-yl)ethanamine
CID 83671812
6-(7H-purin-8-yl)hexan-1-amine
CID 114402076
3-(7H-purin-8-yl)propanoic acid
CID 83671901
2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 167768772
2-(7H-purin-8-yl)acetaldehyde
CID 54084471
2-methyl-N-[2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 62732462
N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine
CID 114401895
N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 55230581
8-(ethoxymethyl)-7H-purine
CID 114402549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline (CID 114402115) is 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline is Cc1ccccc1NCCc1nc2ncncc2[nH]1.
What is the InChIKey of 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline?
The InChIKey is ZUGNMVMMCYDQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-4-2-3-5-11(10)16-7-6-13-18-12-8-15-9-17-14(12)19-13/h2-5,8-9,16H,6-7H2,1H3,(H,15,17,18,19).
What are the key properties of 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline?
2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline has a molecular weight of 253.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline is sourced from PubChem (CID 114402115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).