1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine

C15H23Cl2NO — CID 105141909

IUPAC1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2NO/c1-3-10-18-14(9-6-11-19-4-2)12-7-5-8-13(16)15(12)17/h5,7-8,14,18H,3-4,6,9-11H2,1-2H3
InChIKeyAVCNDRPGGFNNBT-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.85
Rot. Bonds9

About 1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine

1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine (PubChem CID 105141909) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine
PubChem CID105141909
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2NO/c1-3-10-18-14(9-6-11-19-4-2)12-7-5-8-13(16)15(12)17/h5,7-8,14,18H,3-4,6,9-11H2,1-2H3
InChIKeyAVCNDRPGGFNNBT-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.85
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-(2,3-dichlorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105141825
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(2-chloro-3-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054857
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651
1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
CID 115832972
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine (CID 105141909) is 1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine is CCCNC(CCCOCC)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine?
The InChIKey is AVCNDRPGGFNNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-3-10-18-14(9-6-11-19-4-2)12-7-5-8-13(16)15(12)17/h5,7-8,14,18H,3-4,6,9-11H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine?
1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine has a molecular weight of 304.26 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine is sourced from PubChem (CID 105141909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).