1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine

C14H21Cl2NO — CID 114281159

IUPAC1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-8-18-9-7-14(17-4-2)12-6-5-11(15)10-13(12)16/h5-6,10,14,17H,3-4,7-9H2,1-2H3
InChIKeySRHIHIUEBNSERZ-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.46
Rot. Bonds8

About 1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine

1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine (PubChem CID 114281159) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine
PubChem CID114281159
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-8-18-9-7-14(17-4-2)12-6-5-11(15)10-13(12)16/h5-6,10,14,17H,3-4,7-9H2,1-2H3
InChIKeySRHIHIUEBNSERZ-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.46
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

1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine
CID 105008882
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105396834
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819724
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105175820
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63827650

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine (CID 114281159) is 1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine is CCCOCCC(NCC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine?
The InChIKey is SRHIHIUEBNSERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-8-18-9-7-14(17-4-2)12-6-5-11(15)10-13(12)16/h5-6,10,14,17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine?
1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 4.46, 8 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-ethyl-3-propoxypropan-1-amine is sourced from PubChem (CID 114281159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).