2-pyrrolidin-2-ylaniline;dihydrochloride

C10H16Cl2N2 — CID 66519278

IUPAC2-pyrrolidin-2-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C1CCCN1
InChIInChI=1S/C10H14N2.2ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;;/h1-2,4-5,10,12H,3,6-7,11H2;2*1H
InChIKeyJIGWMNUVYNDVSU-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.54
Rot. Bonds1

About 2-pyrrolidin-2-ylaniline;dihydrochloride

2-pyrrolidin-2-ylaniline;dihydrochloride (PubChem CID 66519278) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylaniline;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-ylaniline;dihydrochloride
PubChem CID66519278
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name2-pyrrolidin-2-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C1CCCN1
InChIInChI=1S/C10H14N2.2ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;;/h1-2,4-5,10,12H,3,6-7,11H2;2*1H
InChIKeyJIGWMNUVYNDVSU-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.54
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-(1,3-diazinan-2-yl)aniline
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(2S)-2-(2-prop-1-ynylphenyl)pyrrolidine;hydrochloride
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2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
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(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
2-(2-cyclopentylphenyl)piperidine
CID 115005914
2-[2-(oxetan-3-yl)phenyl]pyrrolidine
CID 83832200
2,3-dichloro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66519208
[2-[(2S)-pyrrolidin-2-yl]phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylaniline;dihydrochloride?
The IUPAC name of 2-pyrrolidin-2-ylaniline;dihydrochloride (CID 66519278) is 2-pyrrolidin-2-ylaniline;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-ylaniline;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-2-ylaniline;dihydrochloride is Cl.Cl.Nc1ccccc1C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-ylaniline;dihydrochloride?
The InChIKey is JIGWMNUVYNDVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;;/h1-2,4-5,10,12H,3,6-7,11H2;2*1H.
What are the key properties of 2-pyrrolidin-2-ylaniline;dihydrochloride?
2-pyrrolidin-2-ylaniline;dihydrochloride has a molecular weight of 235.16 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylaniline;dihydrochloride is sourced from PubChem (CID 66519278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).