N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine

C16H23Cl2N — CID 43078996

IUPACN-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
SMILESCC(NC1CCCCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-12(15-10-9-13(17)11-16(15)18)19-14-7-5-3-2-4-6-8-14/h9-12,14,19H,2-8H2,1H3
InChIKeyONLGEBOEIMXRKF-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.76
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine

N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine (PubChem CID 43078996) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
PubChem CID43078996
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
SMILESCC(NC1CCCCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-12(15-10-9-13(17)11-16(15)18)19-14-7-5-3-2-4-6-8-14/h9-12,14,19H,2-8H2,1H3
InChIKeyONLGEBOEIMXRKF-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
CID 60663519
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427902
N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747470
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470
[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol
CID 103785005
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine
CID 83229855
N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 65386057
2-(cyclohexylamino)-2-(2,4-dichlorophenyl)acetamide
CID 54894576
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine (CID 43078996) is N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine is CC(NC1CCCCCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine?
The InChIKey is ONLGEBOEIMXRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-12(15-10-9-13(17)11-16(15)18)19-14-7-5-3-2-4-6-8-14/h9-12,14,19H,2-8H2,1H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine?
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine has a molecular weight of 300.27 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine is sourced from PubChem (CID 43078996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).