N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine

C18H23FN2O — CID 119107159

IUPACN-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2ccccc2F)N2CCCC2)o1
InChIInChI=1S/C18H23FN2O/c1-14-8-9-18(22-14)17(21-10-4-5-11-21)13-20-12-15-6-2-3-7-16(15)19/h2-3,6-9,17,20H,4-5,10-13H2,1H3
InChIKeyCMMYROJOABGKGY-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.65
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine

N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 119107159) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID119107159
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2ccccc2F)N2CCCC2)o1
InChIInChI=1S/C18H23FN2O/c1-14-8-9-18(22-14)17(21-10-4-5-11-21)13-20-12-15-6-2-3-7-16(15)19/h2-3,6-9,17,20H,4-5,10-13H2,1H3
InChIKeyCMMYROJOABGKGY-UHFFFAOYSA-N
XLogP3.65
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509260
2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 110826413
2-(5-methylfuran-2-yl)-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 119107154
2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107148
2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107168
2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107124
2-methyl-1-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359988
N-[(3-fluoro-4-methylphenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 119126597
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 119125278
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 75854207

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine (CID 119107159) is N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine is Cc1ccc(C(CNCc2ccccc2F)N2CCCC2)o1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is CMMYROJOABGKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-14-8-9-18(22-14)17(21-10-4-5-11-21)13-20-12-15-6-2-3-7-16(15)19/h2-3,6-9,17,20H,4-5,10-13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine?
N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 302.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 119107159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).