N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride

C14H22Cl3NO2 — CID 2979775

IUPACN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
SMILESCCOCCCNCc1cc(Cl)cc(Cl)c1OCC.Cl
InChIInChI=1S/C14H21Cl2NO2.ClH/c1-3-18-7-5-6-17-10-11-8-12(15)9-13(16)14(11)19-4-2;/h8-9,17H,3-7,10H2,1-2H3;1H
InChIKeyKPPXUGQXFBQVKN-UHFFFAOYSA-N
MW342.69 g/mol
LogP4.33
Rot. Bonds9

About N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride

N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride (PubChem CID 2979775) has the molecular formula C14H22Cl3NO2 and a molecular weight of 342.69 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
PubChem CID2979775
Molecular FormulaC14H22Cl3NO2
Molecular Weight342.69 g/mol
Exact Mass341.07
IUPAC NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
SMILESCCOCCCNCc1cc(Cl)cc(Cl)c1OCC.Cl
InChIInChI=1S/C14H21Cl2NO2.ClH/c1-3-18-7-5-6-17-10-11-8-12(15)9-13(16)14(11)19-4-2;/h8-9,17H,3-7,10H2,1-2H3;1H
InChIKeyKPPXUGQXFBQVKN-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.69
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride 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-(3,5-Dichloro-4-octyloxy-benzylamino)-propyl]-phosphonic acid
CID 10151146
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 9549741
N-[2-(allyloxy)-5-chlorobenzyl]cyclopentanamine hydrochloride
CID 2959706
N-(3-chloro-4-methoxybenzyl)-2-methyl-2-propanamine hydrochloride
CID 2981618
2-[2-[(5-Chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957117
(2-Allyloxy-5-chloro-benzyl)-(3-morpholin-4-yl-propyl)-amine
CID 11958772
2-({2-[(3,5-Dichloro-2-ethoxybenzyl)amino]ethyl}amino)ethanol dihydrochloride
CID 11958863
1-({2-[(3,5-Dichloro-2-methoxybenzyl)amino]ethyl}amino)-2-propanol dihydrochloride
CID 11958906
N-(5-chloro-2-isopropoxy-3-methoxybenzyl)-N-ethylamine
CID 15944906
N'-{5-chloro-2-[(2-fluorobenzyl)oxy]benzyl}-N,N-diethyl-1,2-ethanediamine dihydrochloride
CID 16189708
1-[2-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine
CID 25033519
1-[2-(2,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43283283

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
The IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride (CID 2979775) is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride is CCOCCCNCc1cc(Cl)cc(Cl)c1OCC.Cl.
What is the InChIKey of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
The InChIKey is KPPXUGQXFBQVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2.ClH/c1-3-18-7-5-6-17-10-11-8-12(15)9-13(16)14(11)19-4-2;/h8-9,17H,3-7,10H2,1-2H3;1H.
What are the key properties of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride has a molecular weight of 342.69 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 2979775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).