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

C12H20N2 — CID 116936648

IUPAC3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
SMILESCNc1cccc(C(N)C(C)(C)C)c1
InChIInChI=1S/C12H20N2/c1-12(2,3)11(13)9-6-5-7-10(8-9)14-4/h5-8,11,14H,13H2,1-4H3
InChIKeyWBBDWRVMXZNBBY-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.77
Rot. Bonds2

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

3-(1-amino-2,2-dimethylpropyl)-N-methylaniline (PubChem CID 116936648) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-(1-amino-2,2-dimethylpropyl)-N-methylaniline.

Molecular Properties

Compound Name3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
PubChem CID116936648
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
SMILESCNc1cccc(C(N)C(C)(C)C)c1
InChIInChI=1S/C12H20N2/c1-12(2,3)11(13)9-6-5-7-10(8-9)14-4/h5-8,11,14H,13H2,1-4H3
InChIKeyWBBDWRVMXZNBBY-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline
CID 130625593
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723
3-[amino-(2-bromophenyl)methyl]-N-methylaniline
CID 116936726
3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116936668
3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol
CID 171857694
N-methyl-3-[1-(methylamino)propyl]aniline
CID 116951935
3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
CID 116936695
3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline
CID 116936708
N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide
CID 66510191

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2,2-dimethylpropyl)-N-methylaniline?
The IUPAC name of 3-(1-amino-2,2-dimethylpropyl)-N-methylaniline (CID 116936648) is 3-(1-amino-2,2-dimethylpropyl)-N-methylaniline.
What is the SMILES notation for 3-(1-amino-2,2-dimethylpropyl)-N-methylaniline?
The canonical SMILES for 3-(1-amino-2,2-dimethylpropyl)-N-methylaniline is CNc1cccc(C(N)C(C)(C)C)c1.
What is the InChIKey of 3-(1-amino-2,2-dimethylpropyl)-N-methylaniline?
The InChIKey is WBBDWRVMXZNBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,3)11(13)9-6-5-7-10(8-9)14-4/h5-8,11,14H,13H2,1-4H3.
What are the key properties of 3-(1-amino-2,2-dimethylpropyl)-N-methylaniline?
3-(1-amino-2,2-dimethylpropyl)-N-methylaniline has a molecular weight of 192.31 g/mol, XLogP of 2.77, 2 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)-N-methylaniline is sourced from PubChem (CID 116936648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).