2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine

C20H23FN2O — CID 175256344

IUPAC2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine
SMILESCCC1CC(NC(C)c2ccc(Oc3ccccc3)c(F)c2)=CN1
InChIInChI=1S/C20H23FN2O/c1-3-16-12-17(13-22-16)23-14(2)15-9-10-20(19(21)11-15)24-18-7-5-4-6-8-18/h4-11,13-14,16,22-23H,3,12H2,1-2H3
InChIKeyMOBLFCAVHMOHFX-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.88
Rot. Bonds6

About 2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine

2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine (PubChem CID 175256344) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine
PubChem CID175256344
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine
SMILESCCC1CC(NC(C)c2ccc(Oc3ccccc3)c(F)c2)=CN1
InChIInChI=1S/C20H23FN2O/c1-3-16-12-17(13-22-16)23-14(2)15-9-10-20(19(21)11-15)24-18-7-5-4-6-8-18/h4-11,13-14,16,22-23H,3,12H2,1-2H3
InChIKeyMOBLFCAVHMOHFX-UHFFFAOYSA-N
XLogP4.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-[4-[(2-tert-butyl-4-pyridinyl)oxy]-3-fluorophenyl]ethyl]-2-ethyl-2,3-dihydro-1H-pyrrol-4-amine
CID 175256441
(2S)-2-(2,2-difluoroethyl)-N-[1-[3-fluoro-4-(4-methylphenoxy)phenyl]ethyl]-2,3-dihydro-1H-pyrrol-4-amine
CID 175256431
N-[1-(4-cyclohexyloxy-3-fluorophenyl)ethyl]-2-ethyl-2,3-dihydro-1H-pyrrol-4-amine
CID 175256338
[4-[1-[[(2S)-2-ethyl-2,3-dihydro-1H-pyrrol-4-yl]amino]ethyl]-2-fluorophenyl]-pyridin-3-ylmethanone
CID 175256481
(2S)-2-ethyl-N-[1-[3-fluoro-4-(1-methylindol-5-yl)phenyl]ethyl]-2,3-dihydro-1H-pyrrol-4-amine
CID 175256303
(2S)-2-ethyl-N-[1-[3-fluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]ethyl]-2,3-dihydro-1H-pyrrol-4-amine
CID 175256233
2-ethyl-N-[1-[3-fluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]ethyl]-2,3-dihydro-1H-pyrrol-4-amine
CID 175256235
N-[1-[4-(2-tert-butyl-4-pyridinyl)-3,5-difluorophenyl]ethyl]-2-ethyl-2,3-dihydro-1H-pyrrol-4-amine
CID 175256252
N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 100642402
2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
CID 86814049
2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975148
1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119729498

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine?
The IUPAC name of 2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine (CID 175256344) is 2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine.
What is the SMILES notation for 2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine?
The canonical SMILES for 2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine is CCC1CC(NC(C)c2ccc(Oc3ccccc3)c(F)c2)=CN1.
What is the InChIKey of 2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine?
The InChIKey is MOBLFCAVHMOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-3-16-12-17(13-22-16)23-14(2)15-9-10-20(19(21)11-15)24-18-7-5-4-6-8-18/h4-11,13-14,16,22-23H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine?
2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine has a molecular weight of 326.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-2,3-dihydro-1H-pyrrol-4-amine is sourced from PubChem (CID 175256344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).