1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol

C15H23Cl2NO3 — CID 60899614

IUPAC1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol
SMILESCCCCOCCOCC(O)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2NO3/c1-2-3-7-20-8-9-21-11-12(19)10-18-14-6-4-5-13(16)15(14)17/h4-6,12,18-19H,2-3,7-11H2,1H3
InChIKeyYSJCOLDQPZFBEV-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.60
Rot. Bonds11

About 1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol

1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol (PubChem CID 60899614) has the molecular formula C15H23Cl2NO3 and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol
PubChem CID60899614
Molecular FormulaC15H23Cl2NO3
Molecular Weight336.26 g/mol
Exact Mass335.11
IUPAC Name1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol
SMILESCCCCOCCOCC(O)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2NO3/c1-2-3-7-20-8-9-21-11-12(19)10-18-14-6-4-5-13(16)15(14)17/h4-6,12,18-19H,2-3,7-11H2,1H3
InChIKeyYSJCOLDQPZFBEV-UHFFFAOYSA-N
XLogP3.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol
CID 107528089
1-(4-bromo-2,3-dichloroanilino)-3-hexoxypropan-2-ol
CID 107788952
1-butoxy-3-[2-(2-methoxyethyl)anilino]propan-2-ol
CID 107263153
1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106990645
2,3-bis[(3-decoxy-2-hydroxypropyl)amino]phenol
CID 155231458
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613
1-(2,5-dichloroanilino)-3-hexoxypropan-2-ol
CID 63487906
1-(2-butoxyethoxy)-3-(3-ethynylanilino)propan-2-ol
CID 60902499
1-(2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60898941
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 60901726

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol (CID 60899614) is 1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol is CCCCOCCOCC(O)CNc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol?
The InChIKey is YSJCOLDQPZFBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO3/c1-2-3-7-20-8-9-21-11-12(19)10-18-14-6-4-5-13(16)15(14)17/h4-6,12,18-19H,2-3,7-11H2,1H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol?
1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol has a molecular weight of 336.26 g/mol, XLogP of 3.60, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol is sourced from PubChem (CID 60899614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).