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

C14H22N2 — CID 63860369

IUPAC2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
SMILESCc1cc(CN(C)CC2CC2C)ccc1N
InChIInChI=1S/C14H22N2/c1-10-7-13(10)9-16(3)8-12-4-5-14(15)11(2)6-12/h4-6,10,13H,7-9,15H2,1-3H3
InChIKeyATZXNMHETLTOMP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.67
Rot. Bonds4

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

2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline (PubChem CID 63860369) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
PubChem CID63860369
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
SMILESCc1cc(CN(C)CC2CC2C)ccc1N
InChIInChI=1S/C14H22N2/c1-10-7-13(10)9-16(3)8-12-4-5-14(15)11(2)6-12/h4-6,10,13H,7-9,15H2,1-3H3
InChIKeyATZXNMHETLTOMP-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline?
The IUPAC name of 2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline (CID 63860369) is 2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline?
The canonical SMILES for 2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline is Cc1cc(CN(C)CC2CC2C)ccc1N.
What is the InChIKey of 2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline?
The InChIKey is ATZXNMHETLTOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-7-13(10)9-16(3)8-12-4-5-14(15)11(2)6-12/h4-6,10,13H,7-9,15H2,1-3H3.
What are the key properties of 2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline?
2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline has a molecular weight of 218.34 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-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 63860369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).