2-(1-methylperimidin-2-yl)aniline

C18H15N3 — CID 3047479

IUPAC2-(1-methylperimidin-2-yl)aniline
SMILESCN1C(c2ccccc2N)=Nc2cccc3cccc1c23
InChIInChI=1S/C18H15N3/c1-21-16-11-5-7-12-6-4-10-15(17(12)16)20-18(21)13-8-2-3-9-14(13)19/h2-11H,19H2,1H3
InChIKeyYQUMOTCQHQSTNI-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.95
Rot. Bonds1

About 2-(1-methylperimidin-2-yl)aniline

2-(1-methylperimidin-2-yl)aniline (PubChem CID 3047479) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1-methylperimidin-2-yl)aniline.

Molecular Properties

Compound Name2-(1-methylperimidin-2-yl)aniline
PubChem CID3047479
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-(1-methylperimidin-2-yl)aniline
SMILESCN1C(c2ccccc2N)=Nc2cccc3cccc1c23
InChIInChI=1S/C18H15N3/c1-21-16-11-5-7-12-6-4-10-15(17(12)16)20-18(21)13-8-2-3-9-14(13)19/h2-11H,19H2,1H3
InChIKeyYQUMOTCQHQSTNI-UHFFFAOYSA-N
XLogP3.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylperimidin-2-yl)aniline?
The IUPAC name of 2-(1-methylperimidin-2-yl)aniline (CID 3047479) is 2-(1-methylperimidin-2-yl)aniline.
What is the SMILES notation for 2-(1-methylperimidin-2-yl)aniline?
The canonical SMILES for 2-(1-methylperimidin-2-yl)aniline is CN1C(c2ccccc2N)=Nc2cccc3cccc1c23.
What is the InChIKey of 2-(1-methylperimidin-2-yl)aniline?
The InChIKey is YQUMOTCQHQSTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-21-16-11-5-7-12-6-4-10-15(17(12)16)20-18(21)13-8-2-3-9-14(13)19/h2-11H,19H2,1H3.
What are the key properties of 2-(1-methylperimidin-2-yl)aniline?
2-(1-methylperimidin-2-yl)aniline has a molecular weight of 273.34 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylperimidin-2-yl)aniline is sourced from PubChem (CID 3047479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).