N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine

C15H23NO2 — CID 62595328

IUPACN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
SMILESCOc1ccc(C(C)(C)CNC2CC2)cc1OC
InChIInChI=1S/C15H23NO2/c1-15(2,10-16-12-6-7-12)11-5-8-13(17-3)14(9-11)18-4/h5,8-9,12,16H,6-7,10H2,1-4H3
InChIKeyZFIZEWLZZWRGEQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine (PubChem CID 62595328) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
PubChem CID62595328
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
SMILESCOc1ccc(C(C)(C)CNC2CC2)cc1OC
InChIInChI=1S/C15H23NO2/c1-15(2,10-16-12-6-7-12)11-5-8-13(17-3)14(9-11)18-4/h5,8-9,12,16H,6-7,10H2,1-4H3
InChIKeyZFIZEWLZZWRGEQ-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
CID 79697533
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethylguanidine
CID 111549015
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-fluoro-4-methoxyaniline
CID 110452442
N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 115206704
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109443819
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130626
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915500
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119777599

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine (CID 62595328) is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine is COc1ccc(C(C)(C)CNC2CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine?
The InChIKey is ZFIZEWLZZWRGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,10-16-12-6-7-12)11-5-8-13(17-3)14(9-11)18-4/h5,8-9,12,16H,6-7,10H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine?
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine has a molecular weight of 249.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 62595328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).