4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine

C15H21FN2O — CID 156603284

IUPAC4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1cc(CN2CC(N)C(C3CC3)C2)ccc1F
InChIInChI=1S/C15H21FN2O/c1-19-15-6-10(2-5-13(15)16)7-18-8-12(11-3-4-11)14(17)9-18/h2,5-6,11-12,14H,3-4,7-9,17H2,1H3
InChIKeyLOZQYGWWHGKPIX-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.00
Rot. Bonds4

About 4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine

4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine (PubChem CID 156603284) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine
PubChem CID156603284
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1cc(CN2CC(N)C(C3CC3)C2)ccc1F
InChIInChI=1S/C15H21FN2O/c1-19-15-6-10(2-5-13(15)16)7-18-8-12(11-3-4-11)14(17)9-18/h2,5-6,11-12,14H,3-4,7-9,17H2,1H3
InChIKeyLOZQYGWWHGKPIX-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol
CID 72931309
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
(3S,4S)-N-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidine-3-carboxamide
CID 110203656
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916050
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-2-methoxybenzonitrile
CID 106788312
(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 74233978
1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909204
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120909606

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine (CID 156603284) is 4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine is COc1cc(CN2CC(N)C(C3CC3)C2)ccc1F.
What is the InChIKey of 4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is LOZQYGWWHGKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-19-15-6-10(2-5-13(15)16)7-18-8-12(11-3-4-11)14(17)9-18/h2,5-6,11-12,14H,3-4,7-9,17H2,1H3.
What are the key properties of 4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine?
4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 264.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 156603284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).