4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline

C12H20N2 — CID 130625593

IUPAC4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline
SMILESCNc1ccc([C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C12H20N2/c1-12(2,3)11(13)9-5-7-10(14-4)8-6-9/h5-8,11,14H,13H2,1-4H3/t11-/m1/s1
InChIKeyJIYHYNAVXLICAD-LLVKDONJSA-N
MW192.31 g/mol
LogP2.77
Rot. Bonds2

About 4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline

4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline (PubChem CID 130625593) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline
PubChem CID130625593
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline
SMILESCNc1ccc([C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C12H20N2/c1-12(2,3)11(13)9-5-7-10(14-4)8-6-9/h5-8,11,14H,13H2,1-4H3/t11-/m1/s1
InChIKeyJIYHYNAVXLICAD-LLVKDONJSA-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-aminoethyl]-N-methylaniline
CID 130673691
N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093
3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
CID 116936648
N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
CID 171241846
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463
(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
CID 130779699
4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline
CID 174101748
(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
4-[(1S)-1-amino-2,2-dimethylpropyl]benzoic acid
CID 171238860
1-[4-(methylamino)phenyl]butane-1,4-diamine
CID 66819791
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline?
The IUPAC name of 4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline (CID 130625593) is 4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline.
What is the SMILES notation for 4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline?
The canonical SMILES for 4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline is CNc1ccc([C@@H](N)C(C)(C)C)cc1.
What is the InChIKey of 4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline?
The InChIKey is JIYHYNAVXLICAD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,3)11(13)9-5-7-10(14-4)8-6-9/h5-8,11,14H,13H2,1-4H3/t11-/m1/s1.
What are the key properties of 4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline?
4-[(1S)-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 4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline is sourced from PubChem (CID 130625593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).