[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride

C17H21ClN2O3 — CID 119650374

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)c1ccc(Oc2ccccc2)o1.Cl
InChIInChI=1S/C17H20N2O3.ClH/c1-18-12-13-6-5-11-19(13)17(20)15-9-10-16(22-15)21-14-7-3-2-4-8-14;/h2-4,7-10,13,18H,5-6,11-12H2,1H3;1H
InChIKeyUKQVBGJXFDNEGV-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.32
Rot. Bonds5

About [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride

[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride (PubChem CID 119650374) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
PubChem CID119650374
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)c1ccc(Oc2ccccc2)o1.Cl
InChIInChI=1S/C17H20N2O3.ClH/c1-18-12-13-6-5-11-19(13)17(20)15-9-10-16(22-15)21-14-7-3-2-4-8-14;/h2-4,7-10,13,18H,5-6,11-12H2,1H3;1H
InChIKeyUKQVBGJXFDNEGV-UHFFFAOYSA-N
XLogP3.32
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 119650375
(5-chlorofuran-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651425
(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370875
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
furan-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651190
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 119650832
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119649052
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948
1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119651558
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride (CID 119650374) is [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride is CNCC1CCCN1C(=O)c1ccc(Oc2ccccc2)o1.Cl.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride?
The InChIKey is UKQVBGJXFDNEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3.ClH/c1-18-12-13-6-5-11-19(13)17(20)15-9-10-16(22-15)21-14-7-3-2-4-8-14;/h2-4,7-10,13,18H,5-6,11-12H2,1H3;1H.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride?
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119650374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).