1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane

C12H17Cl2NO — CID 143554297

IUPAC1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane
SMILESCC.OC(CCl)C/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO.C2H6/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8;1-2/h1-4,6,10,14H,5,7H2;1-2H3/b13-6+;
InChIKeyKBIBXNBSPGJMKR-AWFSDRIXSA-N
MW262.18 g/mol
LogP3.38
Rot. Bonds4

About 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane

1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane (PubChem CID 143554297) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane.

Molecular Properties

Compound Name1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane
PubChem CID143554297
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane
SMILESCC.OC(CCl)C/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO.C2H6/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8;1-2/h1-4,6,10,14H,5,7H2;1-2H3/b13-6+;
InChIKeyKBIBXNBSPGJMKR-AWFSDRIXSA-N
XLogP3.38
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-Dichlorobenzylidene)ethanolamine
CID 96999
2-[(4-Chlorobenzylidene)amino]-2-methyl-1-propanol
CID 261936
Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-
CID 308173
3-[(2,4-Dichlorophenyl)methylideneamino]propan-1-ol
CID 2185359
(S)-(E,Z)-N-4-Chlorobenzylidene-1-(oxiran-2-yl)methanamine
CID 54589016
2-[(4-Chlorophenyl)methylideneamino]ethanol
CID 4617439
(2S)-1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol
CID 89762720
(2R)-1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol
CID 89762744
1-Chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol
CID 123162954
2-[(3,4-Dichlorophenyl)methylideneamino]-2-methylpropan-1-ol
CID 261935
2-{[(e)-(2-Chlorophenyl)methylidene]amino}-2-methylpropan-1-ol
CID 269522
2-[(2,4-Dichlorophenyl)methylideneamino]-2-methylpropan-1-ol
CID 269538

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane?
The IUPAC name of 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane (CID 143554297) is 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane.
What is the SMILES notation for 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane?
The canonical SMILES for 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane is CC.OC(CCl)C/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane?
The InChIKey is KBIBXNBSPGJMKR-AWFSDRIXSA-N. The full InChI is InChI=1S/C10H11Cl2NO.C2H6/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8;1-2/h1-4,6,10,14H,5,7H2;1-2H3/b13-6+;.
What are the key properties of 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane?
1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane has a molecular weight of 262.18 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol;ethane is sourced from PubChem (CID 143554297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).