3-chloro-2-(1-ethoxypropan-2-yloxy)aniline

C11H16ClNO2 — CID 103486425

IUPAC3-chloro-2-(1-ethoxypropan-2-yloxy)aniline
SMILESCCOCC(C)Oc1c(N)cccc1Cl
InChIInChI=1S/C11H16ClNO2/c1-3-14-7-8(2)15-11-9(12)5-4-6-10(11)13/h4-6,8H,3,7,13H2,1-2H3
InChIKeyDJOWWJFJEKNERF-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.73
Rot. Bonds5

About 3-chloro-2-(1-ethoxypropan-2-yloxy)aniline

3-chloro-2-(1-ethoxypropan-2-yloxy)aniline (PubChem CID 103486425) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-chloro-2-(1-ethoxypropan-2-yloxy)aniline.

Molecular Properties

Compound Name3-chloro-2-(1-ethoxypropan-2-yloxy)aniline
PubChem CID103486425
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-chloro-2-(1-ethoxypropan-2-yloxy)aniline
SMILESCCOCC(C)Oc1c(N)cccc1Cl
InChIInChI=1S/C11H16ClNO2/c1-3-14-7-8(2)15-11-9(12)5-4-6-10(11)13/h4-6,8H,3,7,13H2,1-2H3
InChIKeyDJOWWJFJEKNERF-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-chlorophenoxy)propanenitrile
CID 107715942
3-chloro-2-propoxyaniline
CID 14618927
2-butan-2-yloxy-4-chloro-3-methylaniline
CID 130526572
2-(1-methoxypropan-2-yloxy)-3-methylaniline
CID 115550968
3-chloro-1-N-(1-ethoxypropan-2-yl)benzene-1,2-diamine
CID 104834375
2-(2-amino-6-chlorophenoxy)-N-methylpropanamide
CID 107715753
2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide
CID 107715840
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
4-(1-ethoxypropan-2-yloxy)-2-methylaniline
CID 103486534
2-(2-butan-2-ylphenoxy)-3-chloroaniline
CID 43101029
1-chloro-2-(1-ethoxypropan-2-yl)benzene
CID 91386695
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1-ethoxypropan-2-yloxy)aniline?
The IUPAC name of 3-chloro-2-(1-ethoxypropan-2-yloxy)aniline (CID 103486425) is 3-chloro-2-(1-ethoxypropan-2-yloxy)aniline.
What is the SMILES notation for 3-chloro-2-(1-ethoxypropan-2-yloxy)aniline?
The canonical SMILES for 3-chloro-2-(1-ethoxypropan-2-yloxy)aniline is CCOCC(C)Oc1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-(1-ethoxypropan-2-yloxy)aniline?
The InChIKey is DJOWWJFJEKNERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-3-14-7-8(2)15-11-9(12)5-4-6-10(11)13/h4-6,8H,3,7,13H2,1-2H3.
What are the key properties of 3-chloro-2-(1-ethoxypropan-2-yloxy)aniline?
3-chloro-2-(1-ethoxypropan-2-yloxy)aniline has a molecular weight of 229.71 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1-ethoxypropan-2-yloxy)aniline is sourced from PubChem (CID 103486425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).