3-chloro-2-propoxyaniline

C9H12ClNO — CID 14618927

IUPAC3-chloro-2-propoxyaniline
SMILESCCCOc1c(N)cccc1Cl
InChIInChI=1S/C9H12ClNO/c1-2-6-12-9-7(10)4-3-5-8(9)11/h3-5H,2,6,11H2,1H3
InChIKeyRFLDOQIDWKWABE-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.71
Rot. Bonds3

About 3-chloro-2-propoxyaniline

3-chloro-2-propoxyaniline (PubChem CID 14618927) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-chloro-2-propoxyaniline.

Molecular Properties

Compound Name3-chloro-2-propoxyaniline
PubChem CID14618927
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-chloro-2-propoxyaniline
SMILESCCCOc1c(N)cccc1Cl
InChIInChI=1S/C9H12ClNO/c1-2-6-12-9-7(10)4-3-5-8(9)11/h3-5H,2,6,11H2,1H3
InChIKeyRFLDOQIDWKWABE-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-3-chloroaniline
CID 122439573
3-chloro-2-(2-fluoroethoxy)aniline
CID 107715740
3-chloro-2-(2-phenylethoxy)aniline
CID 26189150
4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol
CID 107715982
3-chloro-2-(3-phenoxypropoxy)aniline
CID 107715829
methyl 4-(2-amino-6-chlorophenoxy)butanoate
CID 107715861
4-(2-amino-6-chlorophenoxy)-2,2-dimethylbutanenitrile
CID 107715656
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide
CID 169366352
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
1-chloro-3-isocyanato-2-propoxybenzene
CID 169352960

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propoxyaniline?
The IUPAC name of 3-chloro-2-propoxyaniline (CID 14618927) is 3-chloro-2-propoxyaniline.
What is the SMILES notation for 3-chloro-2-propoxyaniline?
The canonical SMILES for 3-chloro-2-propoxyaniline is CCCOc1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-propoxyaniline?
The InChIKey is RFLDOQIDWKWABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-2-6-12-9-7(10)4-3-5-8(9)11/h3-5H,2,6,11H2,1H3.
What are the key properties of 3-chloro-2-propoxyaniline?
3-chloro-2-propoxyaniline has a molecular weight of 185.65 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propoxyaniline is sourced from PubChem (CID 14618927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).