3-(1-amino-2,2-dimethylpropyl)-2-methylaniline

C12H20N2 — CID 130042028

IUPAC3-(1-amino-2,2-dimethylpropyl)-2-methylaniline
SMILESCc1c(N)cccc1C(N)C(C)(C)C
InChIInChI=1S/C12H20N2/c1-8-9(6-5-7-10(8)13)11(14)12(2,3)4/h5-7,11H,13-14H2,1-4H3
InChIKeyLFIVGAAHZMYDMT-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.62
Rot. Bonds1

About 3-(1-amino-2,2-dimethylpropyl)-2-methylaniline

3-(1-amino-2,2-dimethylpropyl)-2-methylaniline (PubChem CID 130042028) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-(1-amino-2,2-dimethylpropyl)-2-methylaniline.

Molecular Properties

Compound Name3-(1-amino-2,2-dimethylpropyl)-2-methylaniline
PubChem CID130042028
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-(1-amino-2,2-dimethylpropyl)-2-methylaniline
SMILESCc1c(N)cccc1C(N)C(C)(C)C
InChIInChI=1S/C12H20N2/c1-8-9(6-5-7-10(8)13)11(14)12(2,3)4/h5-7,11H,13-14H2,1-4H3
InChIKeyLFIVGAAHZMYDMT-UHFFFAOYSA-N
XLogP2.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine
CID 170896581
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-methylaniline
CID 130723578
2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline
CID 130043324
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
CID 130731500
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
CID 130715208
(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247920
3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol
CID 131151312
2,4-bis(3-amino-2-methylphenyl)pentan-3-one
CID 175239812
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
3-[(1R)-1-aminobut-3-enyl]-2-methylaniline
CID 55295901
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278
2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2,2-dimethylpropyl)-2-methylaniline?
The IUPAC name of 3-(1-amino-2,2-dimethylpropyl)-2-methylaniline (CID 130042028) is 3-(1-amino-2,2-dimethylpropyl)-2-methylaniline.
What is the SMILES notation for 3-(1-amino-2,2-dimethylpropyl)-2-methylaniline?
The canonical SMILES for 3-(1-amino-2,2-dimethylpropyl)-2-methylaniline is Cc1c(N)cccc1C(N)C(C)(C)C.
What is the InChIKey of 3-(1-amino-2,2-dimethylpropyl)-2-methylaniline?
The InChIKey is LFIVGAAHZMYDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8-9(6-5-7-10(8)13)11(14)12(2,3)4/h5-7,11H,13-14H2,1-4H3.
What are the key properties of 3-(1-amino-2,2-dimethylpropyl)-2-methylaniline?
3-(1-amino-2,2-dimethylpropyl)-2-methylaniline has a molecular weight of 192.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2,2-dimethylpropyl)-2-methylaniline is sourced from PubChem (CID 130042028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).