1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine

C16H23Cl2N — CID 139757285

IUPAC1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine
SMILESCCCCCCCC(C)/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-3-4-5-6-7-8-13(2)19-12-14-9-10-15(17)11-16(14)18/h9-13H,3-8H2,1-2H3/b19-12+
InChIKeyWULSDWRSBQIJKP-XDHOZWIPSA-N
MW300.27 g/mol
LogP6.16
Rot. Bonds8

About 1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine

1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine (PubChem CID 139757285) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine
PubChem CID139757285
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine
SMILESCCCCCCCC(C)/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-3-4-5-6-7-8-13(2)19-12-14-9-10-15(17)11-16(14)18/h9-13H,3-8H2,1-2H3/b19-12+
InChIKeyWULSDWRSBQIJKP-XDHOZWIPSA-N
XLogP6.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine
CID 2835360
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
1-(1-bromodecyl)-2,4-dichlorobenzene
CID 65427160
1,4-dichloro-2-(1-chlorooctyl)benzene
CID 63436691
(E)-1-(2,4-dichlorophenyl)non-1-en-3-one
CID 5375578
1-(2,4-dichlorophenyl)heptylhydrazine
CID 105293920
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine
CID 18915507
4,7-dichloro-2-heptan-2-ylquinoline
CID 102202973
N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine
CID 43099770
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine (CID 139757285) is 1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine is CCCCCCCC(C)/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine?
The InChIKey is WULSDWRSBQIJKP-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-3-4-5-6-7-8-13(2)19-12-14-9-10-15(17)11-16(14)18/h9-13H,3-8H2,1-2H3/b19-12+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine?
1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine has a molecular weight of 300.27 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine is sourced from PubChem (CID 139757285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).