2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline

C13H22N2 — CID 43272233

IUPAC2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
SMILESCc1ccc(CN(C)CC(C)C)cc1N
InChIInChI=1S/C13H22N2/c1-10(2)8-15(4)9-12-6-5-11(3)13(14)7-12/h5-7,10H,8-9,14H2,1-4H3
InChIKeyQURIGNWRAWZXIA-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.67
Rot. Bonds4

About 2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline

2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline (PubChem CID 43272233) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
PubChem CID43272233
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
SMILESCc1ccc(CN(C)CC(C)C)cc1N
InChIInChI=1S/C13H22N2/c1-10(2)8-15(4)9-12-6-5-11(3)13(14)7-12/h5-7,10H,8-9,14H2,1-4H3
InChIKeyQURIGNWRAWZXIA-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
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-5-[[methyl(2-methylpropyl)amino]methyl]aniline?
The IUPAC name of 2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline (CID 43272233) is 2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline.
What is the SMILES notation for 2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline?
The canonical SMILES for 2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline is Cc1ccc(CN(C)CC(C)C)cc1N.
What is the InChIKey of 2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline?
The InChIKey is QURIGNWRAWZXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)8-15(4)9-12-6-5-11(3)13(14)7-12/h5-7,10H,8-9,14H2,1-4H3.
What are the key properties of 2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline?
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline has a molecular weight of 206.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline is sourced from PubChem (CID 43272233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).