1-chloro-3-(3-ethoxyanilino)propan-2-ol

C11H16ClNO2 — CID 168636629

IUPAC1-chloro-3-(3-ethoxyanilino)propan-2-ol
SMILESCCOc1cccc(NCC(O)CCl)c1
InChIInChI=1S/C11H16ClNO2/c1-2-15-11-5-3-4-9(6-11)13-8-10(14)7-12/h3-6,10,13-14H,2,7-8H2,1H3
InChIKeyGEBMYDKIZYQDGB-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.10
Rot. Bonds6

About 1-chloro-3-(3-ethoxyanilino)propan-2-ol

1-chloro-3-(3-ethoxyanilino)propan-2-ol (PubChem CID 168636629) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-chloro-3-(3-ethoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(3-ethoxyanilino)propan-2-ol
PubChem CID168636629
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-chloro-3-(3-ethoxyanilino)propan-2-ol
SMILESCCOc1cccc(NCC(O)CCl)c1
InChIInChI=1S/C11H16ClNO2/c1-2-15-11-5-3-4-9(6-11)13-8-10(14)7-12/h3-6,10,13-14H,2,7-8H2,1H3
InChIKeyGEBMYDKIZYQDGB-UHFFFAOYSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-phenoxyanilino)propan-2-ol
CID 168636658
1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol
CID 168639837
3-(3-butoxyanilino)propane-1,2-diol
CID 168597577
3-ethoxy-N-propylaniline
CID 54800867
N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441924
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816
N-tert-butyl-3-ethoxyaniline
CID 58745523
3-[(3-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319719
3-[2-(3-ethoxyanilino)-1-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 175515918

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-ethoxyanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(3-ethoxyanilino)propan-2-ol (CID 168636629) is 1-chloro-3-(3-ethoxyanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(3-ethoxyanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(3-ethoxyanilino)propan-2-ol is CCOc1cccc(NCC(O)CCl)c1.
What is the InChIKey of 1-chloro-3-(3-ethoxyanilino)propan-2-ol?
The InChIKey is GEBMYDKIZYQDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-2-15-11-5-3-4-9(6-11)13-8-10(14)7-12/h3-6,10,13-14H,2,7-8H2,1H3.
What are the key properties of 1-chloro-3-(3-ethoxyanilino)propan-2-ol?
1-chloro-3-(3-ethoxyanilino)propan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-ethoxyanilino)propan-2-ol is sourced from PubChem (CID 168636629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).