1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride

C16H19Cl3N2O3 — CID 86623054

IUPAC1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
SMILESCC(N)O.Cl.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2.C2H7NO.ClH/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-2(3)4;/h1-7,17H,8H2,(H,18,19);2,4H,3H2,1H3;1H
InChIKeyNYVQOWQNWFQQRC-UHFFFAOYSA-N
MW393.70 g/mol
LogP4.07
Rot. Bonds4

About 1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride

1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride (PubChem CID 86623054) has the molecular formula C16H19Cl3N2O3 and a molecular weight of 393.70 g/mol. Its IUPAC name is 1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
PubChem CID86623054
Molecular FormulaC16H19Cl3N2O3
Molecular Weight393.70 g/mol
Exact Mass392.05
IUPAC Name1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
SMILESCC(N)O.Cl.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2.C2H7NO.ClH/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-2(3)4;/h1-7,17H,8H2,(H,18,19);2,4H,3H2,1H3;1H
InChIKeyNYVQOWQNWFQQRC-UHFFFAOYSA-N
XLogP4.07
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.70
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 70446369
CID 87829814
CID 87829814
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine
CID 13042167
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol
CID 174752797
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 12853028
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 11628651
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid
CID 14389786

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
The IUPAC name of 1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride (CID 86623054) is 1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride.
What is the SMILES notation for 1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
The canonical SMILES for 1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride is CC(N)O.Cl.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
The InChIKey is NYVQOWQNWFQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2.C2H7NO.ClH/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-2(3)4;/h1-7,17H,8H2,(H,18,19);2,4H,3H2,1H3;1H.
What are the key properties of 1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride has a molecular weight of 393.70 g/mol, XLogP of 4.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride is sourced from PubChem (CID 86623054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).