N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine

C13H19Cl2NO — CID 62484864

IUPACN-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-10(2)9-16-6-3-7-17-11-4-5-12(14)13(15)8-11/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyCPVNWFZZJCLGJW-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.01
Rot. Bonds7

About N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine

N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine (PubChem CID 62484864) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
PubChem CID62484864
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC NameN-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-10(2)9-16-6-3-7-17-11-4-5-12(14)13(15)8-11/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyCPVNWFZZJCLGJW-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine 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-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 82727666
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
CID 2581098
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
N'-[2-(3,4-dichlorophenoxy)ethyl]propane-1,3-diamine
CID 2977619
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-1-amine
CID 55211278
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
4-(2,5-dichlorophenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077833

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine (CID 62484864) is N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine is CC(C)CNCCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is CPVNWFZZJCLGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-10(2)9-16-6-3-7-17-11-4-5-12(14)13(15)8-11/h4-5,8,10,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine?
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62484864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).