N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine

C19H23NO — CID 62453998

IUPACN-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2ccccc2CNC2CC2)c(C)c1
InChIInChI=1S/C19H23NO/c1-14-7-10-19(15(2)11-14)21-13-17-6-4-3-5-16(17)12-20-18-8-9-18/h3-7,10-11,18,20H,8-9,12-13H2,1-2H3
InChIKeyNJXUMGDJMBGLTM-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.13
Rot. Bonds6

About N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine

N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62453998) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62453998
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2ccccc2CNC2CC2)c(C)c1
InChIInChI=1S/C19H23NO/c1-14-7-10-19(15(2)11-14)21-13-17-6-4-3-5-16(17)12-20-18-8-9-18/h3-7,10-11,18,20H,8-9,12-13H2,1-2H3
InChIKeyNJXUMGDJMBGLTM-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(2,4-dimethylphenoxy)methyl]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-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452512
N-[[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63498771
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 43277669
N-[[2-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138177
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653
2-[(2,4-dimethylphenoxy)methyl]benzenethiol
CID 54329729
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283592
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 62453998) is N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine is Cc1ccc(OCc2ccccc2CNC2CC2)c(C)c1.
What is the InChIKey of N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is NJXUMGDJMBGLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-7-10-19(15(2)11-14)21-13-17-6-4-3-5-16(17)12-20-18-8-9-18/h3-7,10-11,18,20H,8-9,12-13H2,1-2H3.
What are the key properties of N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62453998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).