[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride

C17H20ClFN2O2 — CID 120805886

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1.Cl
InChIInChI=1S/C17H19FN2O2.ClH/c1-17(10-19)8-9-20(11-17)16(21)15-7-6-14(22-15)12-2-4-13(18)5-3-12;/h2-7H,8-11,19H2,1H3;1H
InChIKeySMRAPLQTTFVPGP-UHFFFAOYSA-N
MW338.81 g/mol
LogP3.32
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride (PubChem CID 120805886) has the molecular formula C17H20ClFN2O2 and a molecular weight of 338.81 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
PubChem CID120805886
Molecular FormulaC17H20ClFN2O2
Molecular Weight338.81 g/mol
Exact Mass338.12
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1.Cl
InChIInChI=1S/C17H19FN2O2.ClH/c1-17(10-19)8-9-20(11-17)16(21)15-7-6-14(22-15)12-2-4-13(18)5-3-12;/h2-7H,8-11,19H2,1H3;1H
InChIKeySMRAPLQTTFVPGP-UHFFFAOYSA-N
XLogP3.32
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-fluorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257310
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256824
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 120806444
[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 120809401
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 120804017
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 120805733
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462
1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
CID 78804067

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride (CID 120805886) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride is CC1(CN)CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride?
The InChIKey is SMRAPLQTTFVPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2.ClH/c1-17(10-19)8-9-20(11-17)16(21)15-7-6-14(22-15)12-2-4-13(18)5-3-12;/h2-7H,8-11,19H2,1H3;1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride has a molecular weight of 338.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride is sourced from PubChem (CID 120805886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).