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

C15H23NO2 — CID 115639482

IUPAC3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCCC2CC2)cc1OC
InChIInChI=1S/C15H23NO2/c1-17-14-8-7-13(10-15(14)18-2)11-16-9-3-4-12-5-6-12/h7-8,10,12,16H,3-6,9,11H2,1-2H3
InChIKeyYHMVNXTUVOJDBD-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.98
Rot. Bonds8

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

3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine (PubChem CID 115639482) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
PubChem CID115639482
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCCC2CC2)cc1OC
InChIInChI=1S/C15H23NO2/c1-17-14-8-7-13(10-15(14)18-2)11-16-9-3-4-12-5-6-12/h7-8,10,12,16H,3-6,9,11H2,1-2H3
InChIKeyYHMVNXTUVOJDBD-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 115639480
N-[(3,4-dimethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163453
N'-[(3,4-dimethoxyphenyl)methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17294501
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
3-butoxy-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 17207562
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639231
3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233318
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3-cyclopropylpropan-1-amine
CID 115639614
1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene
CID 59545688
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine (CID 115639482) is 3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine is COc1ccc(CNCCCC2CC2)cc1OC.
What is the InChIKey of 3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is YHMVNXTUVOJDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-14-8-7-13(10-15(14)18-2)11-16-9-3-4-12-5-6-12/h7-8,10,12,16H,3-6,9,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115639482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).