[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine

C13H19Cl2NO3 — CID 103409014

IUPAC[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
SMILESCOCCOCCCOc1c(Cl)cc(Cl)cc1CN
InChIInChI=1S/C13H19Cl2NO3/c1-17-5-6-18-3-2-4-19-13-10(9-16)7-11(14)8-12(13)15/h7-8H,2-6,9,16H2,1H3
InChIKeyPFJPXEDDXNCIMR-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.88
Rot. Bonds9

About [3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine

[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine (PubChem CID 103409014) has the molecular formula C13H19Cl2NO3 and a molecular weight of 308.20 g/mol. Its IUPAC name is [3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
PubChem CID103409014
Molecular FormulaC13H19Cl2NO3
Molecular Weight308.20 g/mol
Exact Mass307.07
IUPAC Name[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
SMILESCOCCOCCCOc1c(Cl)cc(Cl)cc1CN
InChIInChI=1S/C13H19Cl2NO3/c1-17-5-6-18-3-2-4-19-13-10(9-16)7-11(14)8-12(13)15/h7-8H,2-6,9,16H2,1H3
InChIKeyPFJPXEDDXNCIMR-UHFFFAOYSA-N
XLogP2.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3,5-dichloro-2-[3-(2-methoxyethoxy)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

(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177633
4-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891161
4-[2-(aminomethyl)-4,6-dichlorophenoxy]butanenitrile
CID 60888481
1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene
CID 65175655
2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103181909
[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine
CID 54793716
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
CID 103405668
[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine
CID 62104008
[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559812

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine?
The IUPAC name of [3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine (CID 103409014) is [3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine is COCCOCCCOc1c(Cl)cc(Cl)cc1CN.
What is the InChIKey of [3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine?
The InChIKey is PFJPXEDDXNCIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3/c1-17-5-6-18-3-2-4-19-13-10(9-16)7-11(14)8-12(13)15/h7-8H,2-6,9,16H2,1H3.
What are the key properties of [3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine?
[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine has a molecular weight of 308.20 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 103409014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).