N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine

C18H23FN2 — CID 79098566

IUPACN-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccn(Cc2cccc(F)c2)c1)C1CC1
InChIInChI=1S/C18H23FN2/c1-2-9-20-18(15-6-7-15)16-8-10-21(13-16)12-14-4-3-5-17(19)11-14/h3-5,8,10-11,13,15,18,20H,2,6-7,9,12H2,1H3
InChIKeyLREGNXIQUKQSHJ-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.13
Rot. Bonds7

About N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine

N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 79098566) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
PubChem CID79098566
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccn(Cc2cccc(F)c2)c1)C1CC1
InChIInChI=1S/C18H23FN2/c1-2-9-20-18(15-6-7-15)16-8-10-21(13-16)12-14-4-3-5-17(19)11-14/h3-5,8,10-11,13,15,18,20H,2,6-7,9,12H2,1H3
InChIKeyLREGNXIQUKQSHJ-UHFFFAOYSA-N
XLogP4.13
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099232
N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097640
N-[cyclopropyl-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103691
N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79098339
N-[cyclopropyl-[1-(2-propan-2-ylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 106717799
N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103596
4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
CID 79104467
N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79103503
N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79099233
N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79098824
2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79103165

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine (CID 79098566) is N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine is CCCNC(c1ccn(Cc2cccc(F)c2)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is LREGNXIQUKQSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-2-9-20-18(15-6-7-15)16-8-10-21(13-16)12-14-4-3-5-17(19)11-14/h3-5,8,10-11,13,15,18,20H,2,6-7,9,12H2,1H3.
What are the key properties of N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 286.39 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79098566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).