2-(4-chloro-2-ethanimidoylanilino)ethanol

C10H13ClN2O — CID 144653845

IUPAC2-(4-chloro-2-ethanimidoylanilino)ethanol
SMILES[H]/N=C(\C)c1cc(Cl)ccc1NCCO
InChIInChI=1S/C10H13ClN2O/c1-7(12)9-6-8(11)2-3-10(9)13-4-5-14/h2-3,6,12-14H,4-5H2,1H3/b12-7+
InChIKeyCWCDUVPPZJKOAE-KPKJPENVSA-N
MW212.68 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-chloro-2-ethanimidoylanilino)ethanol

2-(4-chloro-2-ethanimidoylanilino)ethanol (PubChem CID 144653845) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(4-chloro-2-ethanimidoylanilino)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-ethanimidoylanilino)ethanol
PubChem CID144653845
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-(4-chloro-2-ethanimidoylanilino)ethanol
SMILES[H]/N=C(\C)c1cc(Cl)ccc1NCCO
InChIInChI=1S/C10H13ClN2O/c1-7(12)9-6-8(11)2-3-10(9)13-4-5-14/h2-3,6,12-14H,4-5H2,1H3/b12-7+
InChIKeyCWCDUVPPZJKOAE-KPKJPENVSA-N
XLogP2.13
TPSA56.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(5-hydroxypentylamino)benzoic acid
CID 107317969
2-[4-amino-2-(4-chlorophenyl)anilino]ethanol
CID 18371506
2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid
CID 129229320
1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone
CID 130609429
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide
CID 106098354
4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
CID 144540373
5-chloro-2-[3-(2-hydroxyethoxy)propylamino]benzoic acid
CID 114171141
2-[(6-chloro-2-methylquinolin-4-yl)amino]ethanol
CID 155175469
5-chloro-2-(2-methylsulfanylethylamino)benzenecarbothioamide
CID 63957410
5-chloro-2-[2-(dimethylamino)ethylamino]benzenecarbothioamide
CID 62493997
N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide
CID 111770376
2-(2,3,4-trichloroanilino)ethanol
CID 154157702

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-ethanimidoylanilino)ethanol?
The IUPAC name of 2-(4-chloro-2-ethanimidoylanilino)ethanol (CID 144653845) is 2-(4-chloro-2-ethanimidoylanilino)ethanol.
What is the SMILES notation for 2-(4-chloro-2-ethanimidoylanilino)ethanol?
The canonical SMILES for 2-(4-chloro-2-ethanimidoylanilino)ethanol is [H]/N=C(\C)c1cc(Cl)ccc1NCCO.
What is the InChIKey of 2-(4-chloro-2-ethanimidoylanilino)ethanol?
The InChIKey is CWCDUVPPZJKOAE-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(12)9-6-8(11)2-3-10(9)13-4-5-14/h2-3,6,12-14H,4-5H2,1H3/b12-7+.
What are the key properties of 2-(4-chloro-2-ethanimidoylanilino)ethanol?
2-(4-chloro-2-ethanimidoylanilino)ethanol has a molecular weight of 212.68 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-ethanimidoylanilino)ethanol is sourced from PubChem (CID 144653845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).