N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine

C19H24ClN — CID 43109909

IUPACN-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN/c1-4-5-16-6-8-17(9-7-16)14(2)21-15(3)18-10-12-19(20)13-11-18/h6-15,21H,4-5H2,1-3H3
InChIKeyUKWQITVFKHBLJD-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.70
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine

N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine (PubChem CID 43109909) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
PubChem CID43109909
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN/c1-4-5-16-6-8-17(9-7-16)14(2)21-15(3)18-10-12-19(20)13-11-18/h6-15,21H,4-5H2,1-3H3
InChIKeyUKWQITVFKHBLJD-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 55122255
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
2-[1-(4-propylphenyl)ethylamino]propanoic acid
CID 54959765
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine (CID 43109909) is N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(C)NC(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine?
The InChIKey is UKWQITVFKHBLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-5-16-6-8-17(9-7-16)14(2)21-15(3)18-10-12-19(20)13-11-18/h6-15,21H,4-5H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine?
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 43109909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).