1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine

C15H24Cl2N2O — CID 107094120

IUPAC1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine
SMILESCCC(NCCOCCN(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H24Cl2N2O/c1-4-15(13-6-5-12(16)11-14(13)17)18-7-9-20-10-8-19(2)3/h5-6,11,15,18H,4,7-10H2,1-3H3
InChIKeyCBMSZBZDPAZUML-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.61
Rot. Bonds9

About 1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine

1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine (PubChem CID 107094120) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine
PubChem CID107094120
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine
SMILESCCC(NCCOCCN(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H24Cl2N2O/c1-4-15(13-6-5-12(16)11-14(13)17)18-7-9-20-10-8-19(2)3/h5-6,11,15,18H,4,7-10H2,1-3H3
InChIKeyCBMSZBZDPAZUML-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63827650
N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43503297
3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide
CID 60926174
1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904377
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
CID 82799478
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027
1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 114281159
1-(4-chlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 107094072

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine (CID 107094120) is 1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine is CCC(NCCOCCN(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine?
The InChIKey is CBMSZBZDPAZUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2O/c1-4-15(13-6-5-12(16)11-14(13)17)18-7-9-20-10-8-19(2)3/h5-6,11,15,18H,4,7-10H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine?
1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine has a molecular weight of 319.28 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 107094120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).