N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

C12H14Cl2N2 — CID 78909268

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1ccc(CCNC2=NCCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2/c13-10-4-3-9(11(14)8-10)5-7-16-12-2-1-6-15-12/h3-4,8H,1-2,5-7H2,(H,15,16)
InChIKeyVWBWHTJAAOVACA-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.32
Rot. Bonds3

About N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 78909268) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID78909268
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1ccc(CCNC2=NCCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2/c13-10-4-3-9(11(14)8-10)5-7-16-12-2-1-6-15-12/h3-4,8H,1-2,5-7H2,(H,15,16)
InChIKeyVWBWHTJAAOVACA-UHFFFAOYSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 21395144
N-[2-(2-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508323
N-[3-(2,4-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111549402
N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63536590
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785018
N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79508804
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112855896
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
CID 60649518

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 78909268) is N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is Clc1ccc(CCNC2=NCCC2)c(Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is VWBWHTJAAOVACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2/c13-10-4-3-9(11(14)8-10)5-7-16-12-2-1-6-15-12/h3-4,8H,1-2,5-7H2,(H,15,16).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 257.16 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 78909268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).