1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine

C13H20N2O — CID 106661100

IUPAC1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
SMILESCOc1cccc(CN(C)C2(CN)CC2)c1
InChIInChI=1S/C13H20N2O/c1-15(13(10-14)6-7-13)9-11-4-3-5-12(8-11)16-2/h3-5,8H,6-7,9-10,14H2,1-2H3
InChIKeyUSLMIHDFVIOLMV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.62
Rot. Bonds5

About 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine

1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine (PubChem CID 106661100) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
PubChem CID106661100
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
SMILESCOc1cccc(CN(C)C2(CN)CC2)c1
InChIInChI=1S/C13H20N2O/c1-15(13(10-14)6-7-13)9-11-4-3-5-12(8-11)16-2/h3-5,8H,6-7,9-10,14H2,1-2H3
InChIKeyUSLMIHDFVIOLMV-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine (CID 106661100) is 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine is COc1cccc(CN(C)C2(CN)CC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine?
The InChIKey is USLMIHDFVIOLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(13(10-14)6-7-13)9-11-4-3-5-12(8-11)16-2/h3-5,8H,6-7,9-10,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine?
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 106661100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).