1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine

C16H23FN2 — CID 115704320

IUPAC1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine
SMILESCC1CC(NCCc2ccc(F)cc2)CN1C1CC1
InChIInChI=1S/C16H23FN2/c1-12-10-15(11-19(12)16-6-7-16)18-9-8-13-2-4-14(17)5-3-13/h2-5,12,15-16,18H,6-11H2,1H3
InChIKeyGGSPQDWKPIAOGY-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.58
Rot. Bonds5

About 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine (PubChem CID 115704320) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine
PubChem CID115704320
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine
SMILESCC1CC(NCCc2ccc(F)cc2)CN1C1CC1
InChIInChI=1S/C16H23FN2/c1-12-10-15(11-19(12)16-6-7-16)18-9-8-13-2-4-14(17)5-3-13/h2-5,12,15-16,18H,6-11H2,1H3
InChIKeyGGSPQDWKPIAOGY-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97320294
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 62982821
1-cyclopropyl-5-methyl-N-propylpyrrolidin-3-amine
CID 115704306
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713126
N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65080834
N-[2-(4-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665339
1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine
CID 103080955
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222915
1-cyclopropyl-5-methyl-N-(2-methylsulfinylethyl)pyrrolidin-3-amine
CID 115720797
5-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]pentan-1-ol
CID 107302983
N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine
CID 115717762

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine (CID 115704320) is 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine is CC1CC(NCCc2ccc(F)cc2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine?
The InChIKey is GGSPQDWKPIAOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-12-10-15(11-19(12)16-6-7-16)18-9-8-13-2-4-14(17)5-3-13/h2-5,12,15-16,18H,6-11H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine has a molecular weight of 262.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115704320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).