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

C11H17IN2 — CID 130042651

IUPAC2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
SMILESCC(C)(C)C(N)c1cc(I)ccc1N
InChIInChI=1S/C11H17IN2/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,13-14H2,1-3H3
InChIKeyGUWUXDGDPFWQBZ-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.92
Rot. Bonds1

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

2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline (PubChem CID 130042651) has the molecular formula C11H17IN2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
PubChem CID130042651
Molecular FormulaC11H17IN2
Molecular Weight304.18 g/mol
Exact Mass304.04
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
SMILESCC(C)(C)C(N)c1cc(I)ccc1N
InChIInChI=1S/C11H17IN2/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,13-14H2,1-3H3
InChIKeyGUWUXDGDPFWQBZ-UHFFFAOYSA-N
XLogP2.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine
CID 130628960
4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
CID 130613633
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780
(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol
CID 131118871
2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride
CID 171251664
4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline
CID 130043041
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
(2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol
CID 66515777
(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine
CID 130782192
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130900597

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline (CID 130042651) is 2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline is CC(C)(C)C(N)c1cc(I)ccc1N.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline?
The InChIKey is GUWUXDGDPFWQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,13-14H2,1-3H3.
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline?
2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline has a molecular weight of 304.18 g/mol, XLogP of 2.92, 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)-4-iodoaniline is sourced from PubChem (CID 130042651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).