N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline

C13H22N2 — CID 43281929

IUPACN-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline
SMILESCNCc1ccc(N(C)CC(C)C)cc1
InChIInChI=1S/C13H22N2/c1-11(2)10-15(4)13-7-5-12(6-8-13)9-14-3/h5-8,11,14H,9-10H2,1-4H3
InChIKeyGFNXNZSEBPSRPM-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline

N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline (PubChem CID 43281929) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline
PubChem CID43281929
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline
SMILESCNCc1ccc(N(C)CC(C)C)cc1
InChIInChI=1S/C13H22N2/c1-11(2)10-15(4)13-7-5-12(6-8-13)9-14-3/h5-8,11,14H,9-10H2,1-4H3
InChIKeyGFNXNZSEBPSRPM-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279559
4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 63782370
N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline
CID 153497957
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)aniline
CID 79849570
N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline
CID 63007851
N-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 123668191
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
CID 43272204
6-ethyl-N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 113381344

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline?
The IUPAC name of N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline (CID 43281929) is N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline is CNCc1ccc(N(C)CC(C)C)cc1.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline?
The InChIKey is GFNXNZSEBPSRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)10-15(4)13-7-5-12(6-8-13)9-14-3/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline?
N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline has a molecular weight of 206.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline is sourced from PubChem (CID 43281929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).