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

C17H19Cl2N — CID 63413061

IUPACN-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-2-10-20-17(14-6-4-3-5-7-14)12-13-8-9-15(18)16(19)11-13/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyLEBZMYOYAOYWTH-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.28
Rot. Bonds6

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

N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine (PubChem CID 63413061) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
PubChem CID63413061
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-2-10-20-17(14-6-4-3-5-7-14)12-13-8-9-15(18)16(19)11-13/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyLEBZMYOYAOYWTH-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,4-dichlorophenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 63528164
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105136520
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
[2-(3,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199186
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105136518
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 107884482
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143250

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine (CID 63413061) is N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine?
The InChIKey is LEBZMYOYAOYWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-2-10-20-17(14-6-4-3-5-7-14)12-13-8-9-15(18)16(19)11-13/h3-9,11,17,20H,2,10,12H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine?
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 63413061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).