[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone

C16H24N2O2 — CID 114802085

IUPAC[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CCC(CCN)C2)c1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-15-5-3-4-14(11-15)16(19)18-9-7-13(12-18)6-8-17/h3-5,11,13H,2,6-10,12,17H2,1H3
InChIKeyFVLCJHZUGCWFSN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds6

About [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone

[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone (PubChem CID 114802085) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
PubChem CID114802085
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CCC(CCN)C2)c1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-15-5-3-4-14(11-15)16(19)18-9-7-13(12-18)6-8-17/h3-5,11,13H,2,6-10,12,17H2,1H3
InChIKeyFVLCJHZUGCWFSN-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone;hydrochloride
CID 120727696
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(3-methoxypropoxy)phenyl]methanone
CID 119484172
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 114802108
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-phenylethoxy)phenyl]methanone
CID 125448030
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 120808403
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 114802000
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
[3-(aminomethyl)pyrrolidin-1-yl]-(3-phenoxyphenyl)methanone
CID 126782744
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
CID 102938425

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
The IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone (CID 114802085) is [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)N2CCC(CCN)C2)c1.
What is the InChIKey of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
The InChIKey is FVLCJHZUGCWFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-10-20-15-5-3-4-14(11-15)16(19)18-9-7-13(12-18)6-8-17/h3-5,11,13H,2,6-10,12,17H2,1H3.
What are the key properties of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone is sourced from PubChem (CID 114802085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).