2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline

C11H14Cl2N2 — CID 82840616

IUPAC2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline
SMILESCC1CC1NCc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c1-6-2-10(6)15-5-7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15H,2,5,14H2,1H3
InChIKeyGXDMUIXOTCCALS-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.07
Rot. Bonds3

About 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline

2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline (PubChem CID 82840616) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline
PubChem CID82840616
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline
SMILESCC1CC1NCc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c1-6-2-10(6)15-5-7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15H,2,5,14H2,1H3
InChIKeyGXDMUIXOTCCALS-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline 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

CID 20239824
CID 20239824
CID 20433831
CID 20433831
CID 21274779
CID 21274779
CID 90746753
CID 90746753
CID 134477141
CID 134477141
CID 141756660
CID 141756660
CID 142625226
CID 142625226
CID 43121829
CID 43121829
CID 43714603
CID 43714603
CID 43714624
CID 43714624
CID 55275204
CID 55275204
CID 64321021
CID 64321021

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline (CID 82840616) is 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline is CC1CC1NCc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline?
The InChIKey is GXDMUIXOTCCALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-6-2-10(6)15-5-7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15H,2,5,14H2,1H3.
What are the key properties of 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline?
2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline has a molecular weight of 245.15 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline is sourced from PubChem (CID 82840616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).