N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine

C18H21NO2 — CID 43282262

IUPACN-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1cc(C)ccc1Oc1ccccc1CNC1CC1
InChIInChI=1S/C18H21NO2/c1-13-7-10-17(18(11-13)20-2)21-16-6-4-3-5-14(16)12-19-15-8-9-15/h3-7,10-11,15,19H,8-9,12H2,1-2H3
InChIKeyIBBWJIDIDFSKFP-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.05
Rot. Bonds6

About N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine

N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43282262) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43282262
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1cc(C)ccc1Oc1ccccc1CNC1CC1
InChIInChI=1S/C18H21NO2/c1-13-7-10-17(18(11-13)20-2)21-16-6-4-3-5-14(16)12-19-15-8-9-15/h3-7,10-11,15,19H,8-9,12H2,1-2H3
InChIKeyIBBWJIDIDFSKFP-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]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

N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283592
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314299
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297563
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452512
N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62453998
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632936
N-[[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63498771

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine (CID 43282262) is N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine is COc1cc(C)ccc1Oc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is IBBWJIDIDFSKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-7-10-17(18(11-13)20-2)21-16-6-4-3-5-14(16)12-19-15-8-9-15/h3-7,10-11,15,19H,8-9,12H2,1-2H3.
What are the key properties of N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 283.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43282262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).