5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline

C11H17ClN2 — CID 130042351

IUPAC5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
SMILESCC(C)(C)C(N)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H17ClN2/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,13-14H2,1-3H3
InChIKeyMDMORFIJKXRYMS-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.97
Rot. Bonds1

About 5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline

5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline (PubChem CID 130042351) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline.

Molecular Properties

Compound Name5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
PubChem CID130042351
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
SMILESCC(C)(C)C(N)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H17ClN2/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,13-14H2,1-3H3
InChIKeyMDMORFIJKXRYMS-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-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 131172460
(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130974244
(1R)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171249553
5-(1-aminopropyl)-2-chloroaniline
CID 67750170
(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246807
4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline
CID 130043041
(1S)-1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 66516677
1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 77130858
1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
CID 116942155
5-(1-aminopropan-2-yl)-2-chloroaniline
CID 84659886
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463
(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 130777230

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline?
The IUPAC name of 5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline (CID 130042351) is 5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline.
What is the SMILES notation for 5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline?
The canonical SMILES for 5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline is CC(C)(C)C(N)c1ccc(Cl)c(N)c1.
What is the InChIKey of 5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline?
The InChIKey is MDMORFIJKXRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,13-14H2,1-3H3.
What are the key properties of 5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline?
5-(1-amino-2,2-dimethylpropyl)-2-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 5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline is sourced from PubChem (CID 130042351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).