N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

C10H11ClN2 — CID 7059292

IUPACN-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1ccccc1NC1=NCCC1
InChIInChI=1S/C10H11ClN2/c11-8-4-1-2-5-9(8)13-10-6-3-7-12-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyDADXHMUZIXRGOH-UHFFFAOYSA-N
MW194.67 g/mol
LogP2.94
Rot. Bonds1

About N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 7059292) has the molecular formula C10H11ClN2 and a molecular weight of 194.67 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID7059292
Molecular FormulaC10H11ClN2
Molecular Weight194.67 g/mol
Exact Mass194.06
IUPAC NameN-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1ccccc1NC1=NCCC1
InChIInChI=1S/C10H11ClN2/c11-8-4-1-2-5-9(8)13-10-6-3-7-12-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyDADXHMUZIXRGOH-UHFFFAOYSA-N
XLogP2.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13123534
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CID 70686398
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CID 659739
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CID 2302876
CID 2302876
CID 31158
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CID 823249
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CID 1483770
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CID 11834418
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CID 19689601
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 7059292) is N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine is Clc1ccccc1NC1=NCCC1.
What is the InChIKey of N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is DADXHMUZIXRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c11-8-4-1-2-5-9(8)13-10-6-3-7-12-10/h1-2,4-5H,3,6-7H2,(H,12,13).
What are the key properties of N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 194.67 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 7059292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).