N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine

C14H16F2N2 — CID 79089751

IUPACN-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC(C)c1c(F)cccc1F
InChIInChI=1S/C14H16F2N2/c1-9-7-8-10(2)18(9)17-11(3)14-12(15)5-4-6-13(14)16/h4-8,11,17H,1-3H3
InChIKeyCFBVZWDYERAKRE-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.69
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine

N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79089751) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79089751
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC(C)c1c(F)cccc1F
InChIInChI=1S/C14H16F2N2/c1-9-7-8-10(2)18(9)17-11(3)14-12(15)5-4-6-13(14)16/h4-8,11,17H,1-3H3
InChIKeyCFBVZWDYERAKRE-UHFFFAOYSA-N
XLogP3.69
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methylideneamino]-2,4-difluoroaniline
CID 2739613
N-[(E)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylideneamino]aniline
CID 76328216
3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine
CID 171344577
2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethan-1-amine
CID 7064076
2,5-dimethyl-N-phenylpyrrol-1-amine
CID 20387837
1-[(1R,2R)-2-Fluoro-1-methyl-2-phenylethyl]-2,5-dimethyl-1H-pyrrole
CID 12084751
5-(2-Fluorophenyl)-8-methyl-1,3-dihydropyrrolo[1,2-b][1,2,5]triazepin-2-one
CID 13457728
3-(4-Fluorophenyl)-5-isopropyl-2-phenyl-1-(1-pyrrolidinyl)pyrrole
CID 14578742
3-(4-Fluorophenyl)-5-isopropyl-2-phenyl-1-piperidinopyrrole
CID 14578747
1-[3-(4-Fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]azepane
CID 14578766
3-(4-Fluorophenyl)-5-isopropyl-1-(4-methylpiperidino)-2-phenyl-pyrrole
CID 14578771
1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine
CID 18677136

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine (CID 79089751) is N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is CFBVZWDYERAKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-9-7-8-10(2)18(9)17-11(3)14-12(15)5-4-6-13(14)16/h4-8,11,17H,1-3H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 250.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79089751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).