2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline

C15H26N2 — CID 55001135

IUPAC2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline
SMILESCc1c(N)cccc1CN(CC(C)C)C(C)C
InChIInChI=1S/C15H26N2/c1-11(2)9-17(12(3)4)10-14-7-6-8-15(16)13(14)5/h6-8,11-12H,9-10,16H2,1-5H3
InChIKeyIIGZUEZDGSUZLN-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.44
Rot. Bonds5

About 2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline

2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline (PubChem CID 55001135) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline
PubChem CID55001135
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline
SMILESCc1c(N)cccc1CN(CC(C)C)C(C)C
InChIInChI=1S/C15H26N2/c1-11(2)9-17(12(3)4)10-14-7-6-8-15(16)13(14)5/h6-8,11-12H,9-10,16H2,1-5H3
InChIKeyIIGZUEZDGSUZLN-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methylaniline
CID 78973865
2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
CID 63063428
2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 55072302
2-[[2-methylpropyl(propan-2-yl)amino]methyl]benzenecarbothioamide
CID 54999669
2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
CID 43509157
3-[[bis(2-methylpropyl)amino]methyl]-2-bromoaniline
CID 114048474
2-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)aniline
CID 107748659
3-ethyl-2-methylaniline
CID 19879636
2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43563884
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 23588532
3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline
CID 43587897
4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline?
The IUPAC name of 2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline (CID 55001135) is 2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline.
What is the SMILES notation for 2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline?
The canonical SMILES for 2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline is Cc1c(N)cccc1CN(CC(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline?
The InChIKey is IIGZUEZDGSUZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)9-17(12(3)4)10-14-7-6-8-15(16)13(14)5/h6-8,11-12H,9-10,16H2,1-5H3.
What are the key properties of 2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline?
2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]aniline is sourced from PubChem (CID 55001135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).