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

C12H14F2N2 — CID 79508804

IUPACN-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESFc1cc(F)cc(CCNC2=NCCC2)c1
InChIInChI=1S/C12H14F2N2/c13-10-6-9(7-11(14)8-10)3-5-16-12-2-1-4-15-12/h6-8H,1-5H2,(H,15,16)
InChIKeyQIHCXHYHHBGKAZ-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.29
Rot. Bonds3

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

N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79508804) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79508804
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESFc1cc(F)cc(CCNC2=NCCC2)c1
InChIInChI=1S/C12H14F2N2/c13-10-6-9(7-11(14)8-10)3-5-16-12-2-1-4-15-12/h6-8H,1-5H2,(H,15,16)
InChIKeyQIHCXHYHHBGKAZ-UHFFFAOYSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 79508804) is N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is Fc1cc(F)cc(CCNC2=NCCC2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is QIHCXHYHHBGKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c13-10-6-9(7-11(14)8-10)3-5-16-12-2-1-4-15-12/h6-8H,1-5H2,(H,15,16).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 224.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79508804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).