N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine

C17H17Cl2NO — CID 105406574

IUPACN-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO/c1-11-2-3-12(10-20-14-5-6-14)8-16(11)21-17-9-13(18)4-7-15(17)19/h2-4,7-9,14,20H,5-6,10H2,1H3
InChIKeyUXUCKHUQBHTATC-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.35
Rot. Bonds5

About N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine

N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine (PubChem CID 105406574) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
PubChem CID105406574
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO/c1-11-2-3-12(10-20-14-5-6-14)8-16(11)21-17-9-13(18)4-7-15(17)19/h2-4,7-9,14,20H,5-6,10H2,1H3
InChIKeyUXUCKHUQBHTATC-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]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-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105407336
N-[[4-(2-chloro-5-methylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550539
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307
N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80639084
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414
N-[[4-methyl-3-(4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 105406496
N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406447
N-[[4-(2,5-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254374
N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481414
[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol
CID 105407183
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281
N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 105407433

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine (CID 105406574) is N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine is Cc1ccc(CNC2CC2)cc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
The InChIKey is UXUCKHUQBHTATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-11-2-3-12(10-20-14-5-6-14)8-16(11)21-17-9-13(18)4-7-15(17)19/h2-4,7-9,14,20H,5-6,10H2,1H3.
What are the key properties of N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine has a molecular weight of 322.24 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 105406574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).