[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C18H26N2O2 — CID 119540306

IUPAC[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CC2)C1
InChIInChI=1S/C18H26N2O2/c1-13-4-5-15(10-16(13)22-3)18(7-8-18)17(21)20-9-6-14(12-20)11-19-2/h4-5,10,14,19H,6-9,11-12H2,1-3H3
InChIKeyHPWZAULGODABQB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.10
Rot. Bonds5

About [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119540306) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119540306
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CC2)C1
InChIInChI=1S/C18H26N2O2/c1-13-4-5-15(10-16(13)22-3)18(7-8-18)17(21)20-9-6-14(12-20)11-19-2/h4-5,10,14,19H,6-9,11-12H2,1-3H3
InChIKeyHPWZAULGODABQB-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538567
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119542396
1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 119349942
(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125154261
1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 119125744
2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 125133752
[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398088
1-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256385
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxy-4-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 120805528
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119540306) is [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CC2)C1.
What is the InChIKey of [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HPWZAULGODABQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-4-5-15(10-16(13)22-3)18(7-8-18)17(21)20-9-6-14(12-20)11-19-2/h4-5,10,14,19H,6-9,11-12H2,1-3H3.
What are the key properties of [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119540306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).