2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine

C19H24ClN — CID 63412084

IUPAC2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(Cc2cccc(Cl)c2)NCC)cc1
InChIInChI=1S/C19H24ClN/c1-3-6-15-9-11-17(12-10-15)19(21-4-2)14-16-7-5-8-18(20)13-16/h5,7-13,19,21H,3-4,6,14H2,1-2H3
InChIKeyUIYMUWJYQBNRRO-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.19
Rot. Bonds7

About 2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine

2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine (PubChem CID 63412084) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
PubChem CID63412084
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(Cc2cccc(Cl)c2)NCC)cc1
InChIInChI=1S/C19H24ClN/c1-3-6-15-9-11-17(12-10-15)19(21-4-2)14-16-7-5-8-18(20)13-16/h5,7-13,19,21H,3-4,6,14H2,1-2H3
InChIKeyUIYMUWJYQBNRRO-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503819
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818258
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 63508658
2-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 63508626
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine (CID 63412084) is 2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(Cc2cccc(Cl)c2)NCC)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine?
The InChIKey is UIYMUWJYQBNRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-6-15-9-11-17(12-10-15)19(21-4-2)14-16-7-5-8-18(20)13-16/h5,7-13,19,21H,3-4,6,14H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine?
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 63412084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).