2-(1-aminopropan-2-yl)aniline;dihydrochloride

C9H16Cl2N2 — CID 131857142

IUPAC2-(1-aminopropan-2-yl)aniline;dihydrochloride
SMILESCC(CN)c1ccccc1N.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-7(6-10)8-4-2-3-5-9(8)11;;/h2-5,7H,6,10-11H2,1H3;2*1H
InChIKeyDBXXHWBDXYWUGQ-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.17
Rot. Bonds2

About 2-(1-aminopropan-2-yl)aniline;dihydrochloride

2-(1-aminopropan-2-yl)aniline;dihydrochloride (PubChem CID 131857142) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)aniline;dihydrochloride.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)aniline;dihydrochloride
PubChem CID131857142
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name2-(1-aminopropan-2-yl)aniline;dihydrochloride
SMILESCC(CN)c1ccccc1N.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-7(6-10)8-4-2-3-5-9(8)11;;/h2-5,7H,6,10-11H2,1H3;2*1H
InChIKeyDBXXHWBDXYWUGQ-UHFFFAOYSA-N
XLogP2.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.17
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

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2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline
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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)aniline;dihydrochloride?
The IUPAC name of 2-(1-aminopropan-2-yl)aniline;dihydrochloride (CID 131857142) is 2-(1-aminopropan-2-yl)aniline;dihydrochloride.
What is the SMILES notation for 2-(1-aminopropan-2-yl)aniline;dihydrochloride?
The canonical SMILES for 2-(1-aminopropan-2-yl)aniline;dihydrochloride is CC(CN)c1ccccc1N.Cl.Cl.
What is the InChIKey of 2-(1-aminopropan-2-yl)aniline;dihydrochloride?
The InChIKey is DBXXHWBDXYWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2ClH/c1-7(6-10)8-4-2-3-5-9(8)11;;/h2-5,7H,6,10-11H2,1H3;2*1H.
What are the key properties of 2-(1-aminopropan-2-yl)aniline;dihydrochloride?
2-(1-aminopropan-2-yl)aniline;dihydrochloride has a molecular weight of 223.15 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)aniline;dihydrochloride is sourced from PubChem (CID 131857142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).