2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline

C11H17ClN2 — CID 130615780

IUPAC2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
SMILESCC(C)(C)[C@@H](N)c1cc(Cl)ccc1N
InChIInChI=1S/C11H17ClN2/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,13-14H2,1-3H3/t10-/m0/s1
InChIKeyJXRUXIMAJXUZFE-JTQLQIEISA-N
MW212.72 g/mol
LogP2.97
Rot. Bonds1

About 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline

2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline (PubChem CID 130615780) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
PubChem CID130615780
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
SMILESCC(C)(C)[C@@H](N)c1cc(Cl)ccc1N
InChIInChI=1S/C11H17ClN2/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,13-14H2,1-3H3/t10-/m0/s1
InChIKeyJXRUXIMAJXUZFE-JTQLQIEISA-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-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
(3S)-3-amino-3-(2-amino-5-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 171251102
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
CID 131224816
2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651
4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
CID 130613633
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-4-chloroaniline;hydrochloride
CID 171311959
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate
CID 130061350
2-(1-aminoprop-2-enyl)-4-chloroaniline
CID 55283411

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline?
The IUPAC name of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline (CID 130615780) is 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline.
What is the SMILES notation for 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline?
The canonical SMILES for 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline is CC(C)(C)[C@@H](N)c1cc(Cl)ccc1N.
What is the InChIKey of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline?
The InChIKey is JXRUXIMAJXUZFE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17ClN2/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,13-14H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline?
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-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-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline is sourced from PubChem (CID 130615780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).