N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine

C18H19Cl2N — CID 79969797

IUPACN-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
SMILESCC(NCc1ccc(C2CC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N/c1-12(17-9-8-16(19)10-18(17)20)21-11-13-2-4-14(5-3-13)15-6-7-15/h2-5,8-10,12,15,21H,6-7,11H2,1H3
InChIKeyVIPNYGMXLJAMHX-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.72
Rot. Bonds5

About N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine

N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine (PubChem CID 79969797) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
PubChem CID79969797
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
SMILESCC(NCc1ccc(C2CC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N/c1-12(17-9-8-16(19)10-18(17)20)21-11-13-2-4-14(5-3-13)15-6-7-15/h2-5,8-10,12,15,21H,6-7,11H2,1H3
InChIKeyVIPNYGMXLJAMHX-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
CID 22483117
(1S)-1-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 28600399
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
CID 79167721
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 114095465
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406
1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43080367
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine (CID 79969797) is N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine is CC(NCc1ccc(C2CC2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
The InChIKey is VIPNYGMXLJAMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-12(17-9-8-16(19)10-18(17)20)21-11-13-2-4-14(5-3-13)15-6-7-15/h2-5,8-10,12,15,21H,6-7,11H2,1H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine has a molecular weight of 320.26 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 N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 79969797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).