4-(1-amino-2,2-dimethylpropyl)aniline

C11H18N2 — CID 70658463

IUPAC4-(1-amino-2,2-dimethylpropyl)aniline
SMILESCC(C)(C)C(N)c1ccc(N)cc1
InChIInChI=1S/C11H18N2/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7,10H,12-13H2,1-3H3
InChIKeyCMROCKGXXXEGLT-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.31
Rot. Bonds1

About 4-(1-amino-2,2-dimethylpropyl)aniline

4-(1-amino-2,2-dimethylpropyl)aniline (PubChem CID 70658463) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(1-amino-2,2-dimethylpropyl)aniline.

Molecular Properties

Compound Name4-(1-amino-2,2-dimethylpropyl)aniline
PubChem CID70658463
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(1-amino-2,2-dimethylpropyl)aniline
SMILESCC(C)(C)C(N)c1ccc(N)cc1
InChIInChI=1S/C11H18N2/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7,10H,12-13H2,1-3H3
InChIKeyCMROCKGXXXEGLT-UHFFFAOYSA-N
XLogP2.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.31
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

4-(1-amino-2-methylpropyl)aniline
CID 55283645
4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline
CID 130625593
(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
4-(1-amino-3,3-dimethylbutyl)aniline
CID 130042000
4-[(1S)-1-amino-2,2-dimethylpropyl]benzoic acid
CID 171238860
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
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
(1R)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine;hydrochloride
CID 171246376
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline
CID 130043041
5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
CID 130042351

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2-dimethylpropyl)aniline?
The IUPAC name of 4-(1-amino-2,2-dimethylpropyl)aniline (CID 70658463) is 4-(1-amino-2,2-dimethylpropyl)aniline.
What is the SMILES notation for 4-(1-amino-2,2-dimethylpropyl)aniline?
The canonical SMILES for 4-(1-amino-2,2-dimethylpropyl)aniline is CC(C)(C)C(N)c1ccc(N)cc1.
What is the InChIKey of 4-(1-amino-2,2-dimethylpropyl)aniline?
The InChIKey is CMROCKGXXXEGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7,10H,12-13H2,1-3H3.
What are the key properties of 4-(1-amino-2,2-dimethylpropyl)aniline?
4-(1-amino-2,2-dimethylpropyl)aniline has a molecular weight of 178.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2-dimethylpropyl)aniline is sourced from PubChem (CID 70658463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).