N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine

C17H18Cl3N — CID 63412651

IUPACN-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl3N/c1-2-10-21-16(11-12-6-8-13(18)9-7-12)14-4-3-5-15(19)17(14)20/h3-9,16,21H,2,10-11H2,1H3
InChIKeyYMELZYSTIPLAEY-UHFFFAOYSA-N
MW342.70 g/mol
LogP5.93
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine

N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine (PubChem CID 63412651) has the molecular formula C17H18Cl3N and a molecular weight of 342.70 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
PubChem CID63412651
Molecular FormulaC17H18Cl3N
Molecular Weight342.70 g/mol
Exact Mass341.05
IUPAC NameN-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl3N/c1-2-10-21-16(11-12-6-8-13(18)9-7-12)14-4-3-5-15(19)17(14)20/h3-9,16,21H,2,10-11H2,1H3
InChIKeyYMELZYSTIPLAEY-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.70
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
N-[2-(4-chlorophenyl)-1-(2-methylsulfanylphenyl)ethyl]propan-1-amine
CID 79213464
N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107097272
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088
1-(2,3-dichlorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105141825
N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62791433

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine (CID 63412651) is N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine?
The InChIKey is YMELZYSTIPLAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3N/c1-2-10-21-16(11-12-6-8-13(18)9-7-12)14-4-3-5-15(19)17(14)20/h3-9,16,21H,2,10-11H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine?
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine has a molecular weight of 342.70 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63412651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).