2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine

C14H21NO2 — CID 83155157

IUPAC2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)C2CC2)cc1OC
InChIInChI=1S/C14H21NO2/c1-9(10-4-5-10)14(15)11-6-7-12(16-2)13(8-11)17-3/h6-10,14H,4-5,15H2,1-3H3
InChIKeyPGRDUUUDBYJVCM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.75
Rot. Bonds5

About 2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine

2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine (PubChem CID 83155157) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
PubChem CID83155157
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)C2CC2)cc1OC
InChIInChI=1S/C14H21NO2/c1-9(10-4-5-10)14(15)11-6-7-12(16-2)13(8-11)17-3/h6-10,14H,4-5,15H2,1-3H3
InChIKeyPGRDUUUDBYJVCM-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
CID 83154180
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
1,2,2-tris(3,4-dimethoxyphenyl)ethanamine
CID 11396841
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998021

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine (CID 83155157) is 2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine is COc1ccc(C(N)C(C)C2CC2)cc1OC.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine?
The InChIKey is PGRDUUUDBYJVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(10-4-5-10)14(15)11-6-7-12(16-2)13(8-11)17-3/h6-10,14H,4-5,15H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine?
2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83155157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).