1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine

C18H28N2O — CID 115708354

IUPAC1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
SMILESCCOCc1ccccc1CNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C18H28N2O/c1-3-21-13-16-7-5-4-6-15(16)11-19-17-10-14(2)20(12-17)18-8-9-18/h4-7,14,17-19H,3,8-13H2,1-2H3
InChIKeyZMBMKFYZXOFCLC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.94
Rot. Bonds7

About 1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine (PubChem CID 115708354) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
PubChem CID115708354
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
SMILESCCOCc1ccccc1CNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C18H28N2O/c1-3-21-13-16-7-5-4-6-15(16)11-19-17-10-14(2)20(12-17)18-8-9-18/h4-7,14,17-19H,3,8-13H2,1-2H3
InChIKeyZMBMKFYZXOFCLC-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764
N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 60924202
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680
N-[[2-(ethoxymethyl)phenyl]methyl]-1,1-dioxothiolan-3-amine
CID 54861845
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713126
N-[[2-(methoxymethyl)phenyl]methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301779
1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 103114661
N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
CID 62871996
N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60924538
N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81338197

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine (CID 115708354) is 1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine is CCOCc1ccccc1CNC1CC(C)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine?
The InChIKey is ZMBMKFYZXOFCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-21-13-16-7-5-4-6-15(16)11-19-17-10-14(2)20(12-17)18-8-9-18/h4-7,14,17-19H,3,8-13H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine has a molecular weight of 288.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115708354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).