[3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine

C16H17Cl2NO2 — CID 43531172

IUPAC[3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine
SMILESNCc1cccc(OCCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H17Cl2NO2/c17-13-5-6-16(15(18)10-13)21-8-2-7-20-14-4-1-3-12(9-14)11-19/h1,3-6,9-10H,2,7-8,11,19H2
InChIKeyZCFKDDFULJYJCT-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.30
Rot. Bonds7

About [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine

[3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine (PubChem CID 43531172) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine
PubChem CID43531172
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name[3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine
SMILESNCc1cccc(OCCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H17Cl2NO2/c17-13-5-6-16(15(18)10-13)21-8-2-7-20-14-4-1-3-12(9-14)11-19/h1,3-6,9-10H,2,7-8,11,19H2
InChIKeyZCFKDDFULJYJCT-UHFFFAOYSA-N
XLogP4.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine 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

[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
[3-[3-(2-chloro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 43531016
[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine
CID 64854022
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
[4-[3-(4-chloro-2-methylphenoxy)propoxy]phenyl]methanamine
CID 43531205
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43531314
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine?
The IUPAC name of [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine (CID 43531172) is [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine is NCc1cccc(OCCCOc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine?
The InChIKey is ZCFKDDFULJYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c17-13-5-6-16(15(18)10-13)21-8-2-7-20-14-4-1-3-12(9-14)11-19/h1,3-6,9-10H,2,7-8,11,19H2.
What are the key properties of [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine?
[3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine has a molecular weight of 326.22 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 43531172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).