2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine

C12H13ClN2 — CID 82286441

IUPAC2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESNCC(c1cc[nH]c1)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2/c13-12-4-2-1-3-10(12)11(7-14)9-5-6-15-8-9/h1-6,8,11,15H,7,14H2
InChIKeyFKVMVLWNOXMVSR-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine

2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 82286441) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID82286441
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESNCC(c1cc[nH]c1)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2/c13-12-4-2-1-3-10(12)11(7-14)9-5-6-15-8-9/h1-6,8,11,15H,7,14H2
InChIKeyFKVMVLWNOXMVSR-UHFFFAOYSA-N
XLogP2.76
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-2-(1H-pyrrol-3-yl)ethanamine
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2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
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CID 88515182
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
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1-chloro-2-[(1S)-1-phenylpropyl]benzene
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3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
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2-(4-chlorophenyl)-2-(2-fluorophenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine (CID 82286441) is 2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine is NCC(c1cc[nH]c1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is FKVMVLWNOXMVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-12-4-2-1-3-10(12)11(7-14)9-5-6-15-8-9/h1-6,8,11,15H,7,14H2.
What are the key properties of 2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine?
2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 220.70 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 82286441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).