2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline

C12H18N2 — CID 62408815

IUPAC2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
SMILESCc1cc(CNC2CC2C)ccc1N
InChIInChI=1S/C12H18N2/c1-8-5-10(3-4-11(8)13)7-14-12-6-9(12)2/h3-5,9,12,14H,6-7,13H2,1-2H3
InChIKeyRGQYSZOSYSBAOE-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.08
Rot. Bonds3

About 2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline

2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline (PubChem CID 62408815) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
PubChem CID62408815
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
SMILESCc1cc(CNC2CC2C)ccc1N
InChIInChI=1S/C12H18N2/c1-8-5-10(3-4-11(8)13)7-14-12-6-9(12)2/h3-5,9,12,14H,6-7,13H2,1-2H3
InChIKeyRGQYSZOSYSBAOE-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline?
The IUPAC name of 2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline (CID 62408815) is 2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline.
What is the SMILES notation for 2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline?
The canonical SMILES for 2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline is Cc1cc(CNC2CC2C)ccc1N.
What is the InChIKey of 2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline?
The InChIKey is RGQYSZOSYSBAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-5-10(3-4-11(8)13)7-14-12-6-9(12)2/h3-5,9,12,14H,6-7,13H2,1-2H3.
What are the key properties of 2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline?
2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline has a molecular weight of 190.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline is sourced from PubChem (CID 62408815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).