[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone

C16H24N2O2 — CID 120808403

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CCC(C)(CN)C2)c1
InChIInChI=1S/C16H24N2O2/c1-3-9-20-14-6-4-5-13(10-14)15(19)18-8-7-16(2,11-17)12-18/h4-6,10H,3,7-9,11-12,17H2,1-2H3
InChIKeyQKJGGOGHOLAQKJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds5

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone (PubChem CID 120808403) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone
PubChem CID120808403
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CCC(C)(CN)C2)c1
InChIInChI=1S/C16H24N2O2/c1-3-9-20-14-6-4-5-13(10-14)15(19)18-8-7-16(2,11-17)12-18/h4-6,10H,3,7-9,11-12,17H2,1-2H3
InChIKeyQKJGGOGHOLAQKJ-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 120806066
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride
CID 120808564
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 120808706
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 120807953
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 120804520
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120808264
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 114802085
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
(3S)-1-[3-(2-methoxyethoxy)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149673
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 120809683
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 120808954

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone (CID 120808403) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)N2CCC(C)(CN)C2)c1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
The InChIKey is QKJGGOGHOLAQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-20-14-6-4-5-13(10-14)15(19)18-8-7-16(2,11-17)12-18/h4-6,10H,3,7-9,11-12,17H2,1-2H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.29, 5 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]-(3-propoxyphenyl)methanone is sourced from PubChem (CID 120808403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).