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

C15H19Cl2N — CID 114095465

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
SMILESCC(NCC1(C2CC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N/c1-10(13-5-4-12(16)8-14(13)17)18-9-15(6-7-15)11-2-3-11/h4-5,8,10-11,18H,2-3,6-7,9H2,1H3
InChIKeyNJRXIYIJNJQDGS-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.83
Rot. Bonds5

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

N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine (PubChem CID 114095465) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
PubChem CID114095465
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
SMILESCC(NCC1(C2CC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N/c1-10(13-5-4-12(16)8-14(13)17)18-9-15(6-7-15)11-2-3-11/h4-5,8,10-11,18H,2-3,6-7,9H2,1H3
InChIKeyNJRXIYIJNJQDGS-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine
CID 114095532
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519
N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 103904137
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099692
N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 79969797
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
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 63824765
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 103841179

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine (CID 114095465) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine is CC(NCC1(C2CC2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
The InChIKey is NJRXIYIJNJQDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-10(13-5-4-12(16)8-14(13)17)18-9-15(6-7-15)11-2-3-11/h4-5,8,10-11,18H,2-3,6-7,9H2,1H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine has a molecular weight of 284.23 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 114095465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).