2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline

C11H17ClN2 — CID 130043324

IUPAC2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline
SMILESCC(C)(C)C(N)c1cccc(Cl)c1N
InChIInChI=1S/C11H17ClN2/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13/h4-6,10H,13-14H2,1-3H3
InChIKeyGWWOYKOJCLCSDK-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.97
Rot. Bonds1

About 2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline

2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline (PubChem CID 130043324) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline
PubChem CID130043324
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline
SMILESCC(C)(C)C(N)c1cccc(Cl)c1N
InChIInChI=1S/C11H17ClN2/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13/h4-6,10H,13-14H2,1-3H3
InChIKeyGWWOYKOJCLCSDK-UHFFFAOYSA-N
XLogP2.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.97
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)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247920
1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 105467275
2-chloro-6-propan-2-ylaniline
CID 18981698
3-(1-amino-2,2-dimethylpropyl)-2-methylaniline
CID 130042028
(1R)-1-amino-1-(2-amino-3-chlorophenyl)propan-2-ol
CID 130643010
2-chloro-6-(difluoromethyl)aniline
CID 84656251
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242808
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
(1R)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
CID 131107919
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
CID 103852479
3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol
CID 131151312
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
CID 130731500

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline (CID 130043324) is 2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline is CC(C)(C)C(N)c1cccc(Cl)c1N.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline?
The InChIKey is GWWOYKOJCLCSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13/h4-6,10H,13-14H2,1-3H3.
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline?
2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline has a molecular weight of 212.72 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline is sourced from PubChem (CID 130043324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).