1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine

C13H19Cl2NO — CID 43590907

IUPAC1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
SMILESCCOCCNC(CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-3-13(16-7-8-17-4-2)11-6-5-10(14)9-12(11)15/h5-6,9,13,16H,3-4,7-8H2,1-2H3
InChIKeyREPKDEQYFGZHNO-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.07
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine

1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine (PubChem CID 43590907) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
PubChem CID43590907
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
SMILESCCOCCNC(CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-3-13(16-7-8-17-4-2)11-6-5-10(14)9-12(11)15/h5-6,9,13,16H,3-4,7-8H2,1-2H3
InChIKeyREPKDEQYFGZHNO-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
1-[2-(2,4-Dichlorophenyl)ethyl]-3-(1-methoxypropan-2-yl)thiourea
CID 3639215
4-[(2,6-Dichlorophenyl)methyl]morpholine
CID 2846033
Benzylamine, 2,4-dichloro-N-(2-ethoxyethyl)-
CID 52317
Benzylamine, 3,4-dichloro-N-(2-ethoxyethyl)-
CID 52318
2-(4-Chloro-benzylamino)-ethanol
CID 424452
4-(2,4-Dichlorobenzyl)-2,6-dimethylmorpholine
CID 2843289
3-[(2,4-Dichlorobenzyl)amino]-1-propanol hydrochloride
CID 2951048
N-(4-chlorobenzyl)-N-(3-ethoxypropyl)amine
CID 4550247
N-(2,4-dichlorobenzyl)-2-methoxyethanamine hydrochloride
CID 6460284
(2,4-Dichlorobenzyl)(tetrahydro-2-furanylmethyl)amine hydrochloride
CID 17371091
N-Ethyl-2,4-dichlorobenzylamine
CID 485425

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine (CID 43590907) is 1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine is CCOCCNC(CC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine?
The InChIKey is REPKDEQYFGZHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-3-13(16-7-8-17-4-2)11-6-5-10(14)9-12(11)15/h5-6,9,13,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine?
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine is sourced from PubChem (CID 43590907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).