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

C15H23NO2 — CID 64665840

IUPACN-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
SMILESCOc1ccc(CC(C)CNC2CC2)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-11(10-16-13-5-6-13)8-12-4-7-14(17-2)9-15(12)18-3/h4,7,9,11,13,16H,5-6,8,10H2,1-3H3
InChIKeyFAURAUWCTLJCNR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.63
Rot. Bonds7

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

N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine (PubChem CID 64665840) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
PubChem CID64665840
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
SMILESCOc1ccc(CC(C)CNC2CC2)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-11(10-16-13-5-6-13)8-12-4-7-14(17-2)9-15(12)18-3/h4,7,9,11,13,16H,5-6,8,10H2,1-3H3
InChIKeyFAURAUWCTLJCNR-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 64664546
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)ethanol
CID 112501830
4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
CID 122032281
N-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890884
N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528488
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine (CID 64665840) is N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine is COc1ccc(CC(C)CNC2CC2)c(OC)c1.
What is the InChIKey of N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine?
The InChIKey is FAURAUWCTLJCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(10-16-13-5-6-13)8-12-4-7-14(17-2)9-15(12)18-3/h4,7,9,11,13,16H,5-6,8,10H2,1-3H3.
What are the key properties of N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine?
N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine has a molecular weight of 249.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 64665840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).