2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine

C15H23NO2 — CID 115592709

IUPAC2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCC(C)C2CC2)cc1OC
InChIInChI=1S/C15H23NO2/c1-11(13-5-6-13)9-16-10-12-4-7-14(17-2)15(8-12)18-3/h4,7-8,11,13,16H,5-6,9-10H2,1-3H3
InChIKeyDDRLHEICHKMERO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.84
Rot. Bonds7

About 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine

2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine (PubChem CID 115592709) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
PubChem CID115592709
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCC(C)C2CC2)cc1OC
InChIInChI=1S/C15H23NO2/c1-11(13-5-6-13)9-16-10-12-4-7-14(17-2)15(8-12)18-3/h4,7-8,11,13,16H,5-6,9-10H2,1-3H3
InChIKeyDDRLHEICHKMERO-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine 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

2-cyclopropyl-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115592755
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763989
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 22026275
N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441147
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
1-N-[(3,4-dimethoxyphenyl)methyl]butane-1,2-diamine
CID 83957273
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 115592760
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine (CID 115592709) is 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine is COc1ccc(CNCC(C)C2CC2)cc1OC.
What is the InChIKey of 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is DDRLHEICHKMERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(13-5-6-13)9-16-10-12-4-7-14(17-2)15(8-12)18-3/h4,7-8,11,13,16H,5-6,9-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115592709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).