[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone

C18H21BrN2O3 — CID 120805733

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
SMILESCC1(CN)CCN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)C1
InChIInChI=1S/C18H21BrN2O3/c1-18(11-20)8-9-21(12-18)17(22)16-7-6-15(24-16)10-23-14-4-2-13(19)3-5-14/h2-7H,8-12,20H2,1H3
InChIKeyCZMXFNVKELUYMB-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.43
Rot. Bonds5

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone (PubChem CID 120805733) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
PubChem CID120805733
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
SMILESCC1(CN)CCN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)C1
InChIInChI=1S/C18H21BrN2O3/c1-18(11-20)8-9-21(12-18)17(22)16-7-6-15(24-16)10-23-14-4-2-13(19)3-5-14/h2-7H,8-12,20H2,1H3
InChIKeyCZMXFNVKELUYMB-UHFFFAOYSA-N
XLogP3.43
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone with MolForge

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Related Compounds

(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119375154
[(3R)-3-aminopyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119411658
(3-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119379806
[5-[(4-bromophenoxy)methyl]furan-2-yl]-(1,4-diazepan-1-yl)methanone
CID 119416732
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325456
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325645
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone;hydrochloride
CID 120806998
[5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone
CID 87001078
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 120808706
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
CID 120805886
[5-[(4-bromophenoxy)methyl]furan-2-yl]-(2-methylpiperazin-1-yl)methanone
CID 119472053
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294871

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone (CID 120805733) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone is CC1(CN)CCN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone?
The InChIKey is CZMXFNVKELUYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-18(11-20)8-9-21(12-18)17(22)16-7-6-15(24-16)10-23-14-4-2-13(19)3-5-14/h2-7H,8-12,20H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone has a molecular weight of 393.28 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 120805733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).