2-(2-butoxyethoxy)-6-chloroaniline

C12H18ClNO2 — CID 104834987

IUPAC2-(2-butoxyethoxy)-6-chloroaniline
SMILESCCCCOCCOc1cccc(Cl)c1N
InChIInChI=1S/C12H18ClNO2/c1-2-3-7-15-8-9-16-11-6-4-5-10(13)12(11)14/h4-6H,2-3,7-9,14H2,1H3
InChIKeyDEIIEZDFSQFGDY-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.12
Rot. Bonds7

About 2-(2-butoxyethoxy)-6-chloroaniline

2-(2-butoxyethoxy)-6-chloroaniline (PubChem CID 104834987) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-6-chloroaniline.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-6-chloroaniline
PubChem CID104834987
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(2-butoxyethoxy)-6-chloroaniline
SMILESCCCCOCCOc1cccc(Cl)c1N
InChIInChI=1S/C12H18ClNO2/c1-2-3-7-15-8-9-16-11-6-4-5-10(13)12(11)14/h4-6H,2-3,7-9,14H2,1H3
InChIKeyDEIIEZDFSQFGDY-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-butoxyethoxy)-6-chloroaniline 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

1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
2-butoxy-6-fluoroaniline
CID 60790205
1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol
CID 22382209
2-chloro-6-(3-methoxy-3-methylbutoxy)aniline
CID 106664854
2-[2-(2-butoxyethoxy)phenyl]ethanamine
CID 54956247
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
2-(2-butoxyethoxy)benzenecarbothioamide
CID 29001981
2-butoxyethyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 99800490
4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 55182395
N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine
CID 112609238
2-amino-3-butoxybenzoic acid
CID 61039870

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-6-chloroaniline?
The IUPAC name of 2-(2-butoxyethoxy)-6-chloroaniline (CID 104834987) is 2-(2-butoxyethoxy)-6-chloroaniline.
What is the SMILES notation for 2-(2-butoxyethoxy)-6-chloroaniline?
The canonical SMILES for 2-(2-butoxyethoxy)-6-chloroaniline is CCCCOCCOc1cccc(Cl)c1N.
What is the InChIKey of 2-(2-butoxyethoxy)-6-chloroaniline?
The InChIKey is DEIIEZDFSQFGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-2-3-7-15-8-9-16-11-6-4-5-10(13)12(11)14/h4-6H,2-3,7-9,14H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)-6-chloroaniline?
2-(2-butoxyethoxy)-6-chloroaniline has a molecular weight of 243.73 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-6-chloroaniline is sourced from PubChem (CID 104834987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).