N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine

C11H12ClIN2 — CID 10042547

IUPACN-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CCC(Nc2ccc(I)cc2Cl)=N1
InChIInChI=1S/C11H12ClIN2/c1-7-2-5-11(14-7)15-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyKLIBTBNNCGHLPY-UHFFFAOYSA-N
MW334.59 g/mol
LogP3.94
Rot. Bonds1

About N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine

N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 10042547) has the molecular formula C11H12ClIN2 and a molecular weight of 334.59 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID10042547
Molecular FormulaC11H12ClIN2
Molecular Weight334.59 g/mol
Exact Mass333.97
IUPAC NameN-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CCC(Nc2ccc(I)cc2Cl)=N1
InChIInChI=1S/C11H12ClIN2/c1-7-2-5-11(14-7)15-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyKLIBTBNNCGHLPY-UHFFFAOYSA-N
XLogP3.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrobromide
CID 16243527
N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 7059292
N-(5-azido-2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
CID 10474619
2-((2-Chloroanilino)methyl)-2-imidazoline
CID 13123534
N-(2-chlorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
CID 70686398
N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 659739
2,6-dichloro-N-[(2E)-pyrrolidin-2-ylidene]aniline
CID 2302876
N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 11834418
[4-chloro-2-iodo-5-[(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)amino]phenyl]imino-iminoazanium
CID 44577997
N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 659842
N-(2-chloro-5-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 89964917
2H-Pyrrol-5-amine, 3,4-dihydro-N-(2,4-dichlorophenyl)-
CID 3039764

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine (CID 10042547) is N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine is CC1CCC(Nc2ccc(I)cc2Cl)=N1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is KLIBTBNNCGHLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClIN2/c1-7-2-5-11(14-7)15-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5H2,1H3,(H,14,15).
What are the key properties of N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 334.59 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 10042547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).