1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine

C17H19Cl2N — CID 63424026

IUPAC1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cccc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-3-16(20-4-2)13-8-5-7-12(11-13)14-9-6-10-15(18)17(14)19/h5-11,16,20H,3-4H2,1-2H3
InChIKeyBYVVRZWKXIXKPA-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.72
Rot. Bonds5

About 1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine

1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine (PubChem CID 63424026) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine
PubChem CID63424026
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cccc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-3-16(20-4-2)13-8-5-7-12(11-13)14-9-6-10-15(18)17(14)19/h5-11,16,20H,3-4H2,1-2H3
InChIKeyBYVVRZWKXIXKPA-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylpropan-1-amine
CID 107476919
1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine
CID 115503597
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine
CID 79735816
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]propan-1-amine
CID 63423816
1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424386
N-ethyl-1-(3-pyridin-2-ylphenyl)propan-1-amine
CID 63678693
N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
CID 63424152
N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809490
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63423946
1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63413050
1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312112

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine (CID 63424026) is 1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1cccc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine?
The InChIKey is BYVVRZWKXIXKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-16(20-4-2)13-8-5-7-12(11-13)14-9-6-10-15(18)17(14)19/h5-11,16,20H,3-4H2,1-2H3.
What are the key properties of 1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine?
1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 63424026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).