N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine

C15H21Cl2N — CID 55195117

IUPACN-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-2-18-15(11-6-4-3-5-7-11)13-9-8-12(16)10-14(13)17/h8-11,15,18H,2-7H2,1H3
InChIKeyVJRKCFIVZBQDPH-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.22
Rot. Bonds4

About N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine

N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine (PubChem CID 55195117) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
PubChem CID55195117
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-2-18-15(11-6-4-3-5-7-11)13-9-8-12(16)10-14(13)17/h8-11,15,18H,2-7H2,1H3
InChIKeyVJRKCFIVZBQDPH-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
CID 104990929
[cyclohexyl-(2,4-dichlorophenyl)methyl]hydrazine
CID 105282000
N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine
CID 105027844
2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 82936894
N-[(4-bromo-5-chloro-2-fluorophenyl)-cyclooctylmethyl]ethanamine
CID 105398992
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine (CID 55195117) is N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is VJRKCFIVZBQDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-18-15(11-6-4-3-5-7-11)13-9-8-12(16)10-14(13)17/h8-11,15,18H,2-7H2,1H3.
What are the key properties of N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine?
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 286.25 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 55195117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).