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

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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).