N-(2,2-dimethylpropyl)-4-methylaniline

C12H19N — CID 20674504

IUPACN-(2,2-dimethylpropyl)-4-methylaniline
SMILESCc1ccc(NCC(C)(C)C)cc1
InChIInChI=1S/C12H19N/c1-10-5-7-11(8-6-10)13-9-12(2,3)4/h5-8,13H,9H2,1-4H3
InChIKeyFRIZIHKWUPNLEG-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.45
Rot. Bonds2

About N-(2,2-dimethylpropyl)-4-methylaniline

N-(2,2-dimethylpropyl)-4-methylaniline (PubChem CID 20674504) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-methylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-methylaniline
PubChem CID20674504
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(2,2-dimethylpropyl)-4-methylaniline
SMILESCc1ccc(NCC(C)(C)C)cc1
InChIInChI=1S/C12H19N/c1-10-5-7-11(8-6-10)13-9-12(2,3)4/h5-8,13H,9H2,1-4H3
InChIKeyFRIZIHKWUPNLEG-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796313
5-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 61166078
N-(2,2-dimethylpropyl)-4-[(R)-methylsulfinyl]aniline
CID 97236643
N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
CID 61324337
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
CID 61324339
2-(4-methylanilino)ethanethiol
CID 13460852
2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine
CID 175188090
N-(2,2-dimethylpropyl)-4-(propylsulfanylmethyl)aniline
CID 83961263
2-[4-(2,2-dimethylpropylamino)phenoxy]acetonitrile
CID 61324519
[2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+)
CID 59910529

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-methylaniline?
The IUPAC name of N-(2,2-dimethylpropyl)-4-methylaniline (CID 20674504) is N-(2,2-dimethylpropyl)-4-methylaniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-methylaniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-methylaniline is Cc1ccc(NCC(C)(C)C)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-methylaniline?
The InChIKey is FRIZIHKWUPNLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-5-7-11(8-6-10)13-9-12(2,3)4/h5-8,13H,9H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-methylaniline?
N-(2,2-dimethylpropyl)-4-methylaniline has a molecular weight of 177.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-methylaniline is sourced from PubChem (CID 20674504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).