N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine

C15H24N2O2 — CID 106785333

IUPACN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(Cc1ccc(CN)c(OC)c1)C1CC1
InChIInChI=1S/C15H24N2O2/c1-18-8-7-17(14-5-6-14)11-12-3-4-13(10-16)15(9-12)19-2/h3-4,9,14H,5-8,10-11,16H2,1-2H3
InChIKeyMDMJHVZSNQLWAO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.76
Rot. Bonds8

About N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 106785333) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
PubChem CID106785333
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(Cc1ccc(CN)c(OC)c1)C1CC1
InChIInChI=1S/C15H24N2O2/c1-18-8-7-17(14-5-6-14)11-12-3-4-13(10-16)15(9-12)19-2/h3-4,9,14H,5-8,10-11,16H2,1-2H3
InChIKeyMDMJHVZSNQLWAO-UHFFFAOYSA-N
XLogP1.76
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789360
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 54946800
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62019654
N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 65478571
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 106785394
N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62435763
5-[[cyclopropyl(2-methoxyethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879268
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 54946789
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106906242
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
4-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788723

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine (CID 106785333) is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine is COCCN(Cc1ccc(CN)c(OC)c1)C1CC1.
What is the InChIKey of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is MDMJHVZSNQLWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-18-8-7-17(14-5-6-14)11-12-3-4-13(10-16)15(9-12)19-2/h3-4,9,14H,5-8,10-11,16H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 264.37 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 106785333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).