2-(2-chlorophenyl)-2-methanimidoyloctanal

C15H20ClNO — CID 88784192

IUPAC2-(2-chlorophenyl)-2-methanimidoyloctanal
SMILES[H]/N=C/C(C=O)(CCCCCC)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-2-3-4-7-10-15(11-17,12-18)13-8-5-6-9-14(13)16/h5-6,8-9,11-12,17H,2-4,7,10H2,1H3/b17-11+
InChIKeyDUWJXWGILFCRLP-GZTJUZNOSA-N
MW265.78 g/mol
LogP4.40
Rot. Bonds8

About 2-(2-chlorophenyl)-2-methanimidoyloctanal

2-(2-chlorophenyl)-2-methanimidoyloctanal (PubChem CID 88784192) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-methanimidoyloctanal.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-methanimidoyloctanal
PubChem CID88784192
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-(2-chlorophenyl)-2-methanimidoyloctanal
SMILES[H]/N=C/C(C=O)(CCCCCC)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-2-3-4-7-10-15(11-17,12-18)13-8-5-6-9-14(13)16/h5-6,8-9,11-12,17H,2-4,7,10H2,1H3/b17-11+
InChIKeyDUWJXWGILFCRLP-GZTJUZNOSA-N
XLogP4.40
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-2-methanimidoyloctanal 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

1-[1-bromo-2-(bromomethyl)decan-2-yl]-2-chlorobenzene
CID 79455262
2-methyl-2-phenylicosanal
CID 174730762
2,2-diaminononadecanal
CID 174639671
2-(2-chlorophenyl)-2-ethoxycarbonylheptanoic acid
CID 103974913
1-(2-chlorophenyl)butane-1,1-diol
CID 150424149
1-(2-chlorododecan-2-yl)-2-methylbenzene
CID 140998406
CID 175277207
CID 175277207
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
2-(4-bromo-2-chlorophenyl)nonan-2-amine
CID 82779733
(1-chloro-2-hydroxy-1-phenyloctan-2-yl) methanimidate
CID 135050769
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] heptanoate
CID 59409015
2-chloro-N,N-dihexylaniline
CID 139723528

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-methanimidoyloctanal?
The IUPAC name of 2-(2-chlorophenyl)-2-methanimidoyloctanal (CID 88784192) is 2-(2-chlorophenyl)-2-methanimidoyloctanal.
What is the SMILES notation for 2-(2-chlorophenyl)-2-methanimidoyloctanal?
The canonical SMILES for 2-(2-chlorophenyl)-2-methanimidoyloctanal is [H]/N=C/C(C=O)(CCCCCC)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-methanimidoyloctanal?
The InChIKey is DUWJXWGILFCRLP-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-3-4-7-10-15(11-17,12-18)13-8-5-6-9-14(13)16/h5-6,8-9,11-12,17H,2-4,7,10H2,1H3/b17-11+.
What are the key properties of 2-(2-chlorophenyl)-2-methanimidoyloctanal?
2-(2-chlorophenyl)-2-methanimidoyloctanal has a molecular weight of 265.78 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-methanimidoyloctanal is sourced from PubChem (CID 88784192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).