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

C13H20Cl2N2O — CID 60899997

IUPAC1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C13H20Cl2N2O/c1-3-17(4-2)9-10(18)8-16-12-7-5-6-11(14)13(12)15/h5-7,10,16,18H,3-4,8-9H2,1-2H3
InChIKeyLWMCIZOOGAVJRI-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.11
Rot. Bonds7

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

1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol (PubChem CID 60899997) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol
PubChem CID60899997
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C13H20Cl2N2O/c1-3-17(4-2)9-10(18)8-16-12-7-5-6-11(14)13(12)15/h5-7,10,16,18H,3-4,8-9H2,1-2H3
InChIKeyLWMCIZOOGAVJRI-UHFFFAOYSA-N
XLogP3.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
CID 114255834
1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol
CID 60899614
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
2,3-dichloro-N-(2,2-difluoroethyl)aniline
CID 60921632
1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol
CID 83108692
1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60898520
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60897805
1-(diethylamino)-3-(4-ethylanilino)propan-2-ol
CID 60900874
1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol
CID 60897898
1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 60901726

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol (CID 60899997) is 1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CNc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol?
The InChIKey is LWMCIZOOGAVJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O/c1-3-17(4-2)9-10(18)8-16-12-7-5-6-11(14)13(12)15/h5-7,10,16,18H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol?
1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol has a molecular weight of 291.22 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 60899997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).