4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine

C16H23FN2O — CID 123776405

IUPAC4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESC=CCc1cc(F)ccc1C1CN(CCOC)CC1N
InChIInChI=1S/C16H23FN2O/c1-3-4-12-9-13(17)5-6-14(12)15-10-19(7-8-20-2)11-16(15)18/h3,5-6,9,15-16H,1,4,7-8,10-11,18H2,2H3
InChIKeyYQRGTXJPSHFIOV-UHFFFAOYSA-N
MW278.37 g/mol
LogP1.93
Rot. Bonds6

About 4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine

4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 123776405) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID123776405
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESC=CCc1cc(F)ccc1C1CN(CCOC)CC1N
InChIInChI=1S/C16H23FN2O/c1-3-4-12-9-13(17)5-6-14(12)15-10-19(7-8-20-2)11-16(15)18/h3,5-6,9,15-16H,1,4,7-8,10-11,18H2,2H3
InChIKeyYQRGTXJPSHFIOV-UHFFFAOYSA-N
XLogP1.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 56783533
N-[(2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 56783534
N-[(2,5-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 72020859
N-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 72020861
(2-Amino-3-phenylpropyl)bis(2-methoxyethyl)amine
CID 61418501
(2-Amino-3-phenylpropyl)(2-ethoxyethyl)methylamine
CID 81055986
1-(2-fluorophenyl)-N-(2-methoxy-1-methylethyl)-2-propanamine
CID 45927535
N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 97602568
(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine
CID 131939820
4-[1-[2,2-Difluoro-2-(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-yl]morpholine
CID 132394307
(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 11572719
1-[4,4-Bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine
CID 21295631

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of 4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 123776405) is 4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for 4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine is C=CCc1cc(F)ccc1C1CN(CCOC)CC1N.
What is the InChIKey of 4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is YQRGTXJPSHFIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-4-12-9-13(17)5-6-14(12)15-10-19(7-8-20-2)11-16(15)18/h3,5-6,9,15-16H,1,4,7-8,10-11,18H2,2H3.
What are the key properties of 4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 278.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-prop-2-enylphenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 123776405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).