2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline

C11H13Cl2NO2 — CID 131209122

IUPAC2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline
SMILESClc1ccc(Cl)c(NCCC2OCCO2)c1
InChIInChI=1S/C11H13Cl2NO2/c12-8-1-2-9(13)10(7-8)14-4-3-11-15-5-6-16-11/h1-2,7,11,14H,3-6H2
InChIKeyXHIMHUYKWLZSTM-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.17
Rot. Bonds4

About 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline

2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline (PubChem CID 131209122) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline
PubChem CID131209122
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline
SMILESClc1ccc(Cl)c(NCCC2OCCO2)c1
InChIInChI=1S/C11H13Cl2NO2/c12-8-1-2-9(13)10(7-8)14-4-3-11-15-5-6-16-11/h1-2,7,11,14H,3-6H2
InChIKeyXHIMHUYKWLZSTM-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]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

2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015968
2,5-dichloro-N-(3,3-dimethylbutyl)aniline
CID 63418303
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
1-(2,5-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546664
N-(2,3-dichlorophenyl)-N'-(2,5-dichlorophenyl)ethane-1,2-diamine
CID 54809670
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54806883
4-chloro-2-[2-(oxolan-2-yl)ethylamino]benzenecarbothioamide
CID 63093678
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060
2-(2,5-dichloroanilino)ethanethioamide
CID 82083282
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,5-dichloroaniline
CID 66419083
N-(2,5-dichlorophenyl)-2-(oxetan-3-yl)acetamide
CID 110476456

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline?
The IUPAC name of 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline (CID 131209122) is 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline is Clc1ccc(Cl)c(NCCC2OCCO2)c1.
What is the InChIKey of 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline?
The InChIKey is XHIMHUYKWLZSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c12-8-1-2-9(13)10(7-8)14-4-3-11-15-5-6-16-11/h1-2,7,11,14H,3-6H2.
What are the key properties of 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline?
2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline has a molecular weight of 262.14 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(1,3-dioxolan-2-yl)ethyl]aniline is sourced from PubChem (CID 131209122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).