N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine

C16H22Cl2FN — CID 63450527

IUPACN-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine
SMILESCC(NCCC1CCCCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2FN/c1-11(13-9-16(19)15(18)10-14(13)17)20-8-7-12-5-3-2-4-6-12/h9-12,20H,2-8H2,1H3
InChIKeyBFCOTLRFUVVCAX-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.75
Rot. Bonds5

About N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine

N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine (PubChem CID 63450527) has the molecular formula C16H22Cl2FN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine
PubChem CID63450527
Molecular FormulaC16H22Cl2FN
Molecular Weight318.26 g/mol
Exact Mass317.11
IUPAC NameN-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine
SMILESCC(NCCC1CCCCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2FN/c1-11(13-9-16(19)15(18)10-14(13)17)20-8-7-12-5-3-2-4-6-12/h9-12,20H,2-8H2,1H3
InChIKeyBFCOTLRFUVVCAX-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62975546
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954
N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706405
1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine
CID 63479051
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 81396255
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butanoic acid
CID 60782893
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]prop-2-en-1-amine
CID 43231321
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine?
The IUPAC name of N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine (CID 63450527) is N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine is CC(NCCC1CCCCC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine?
The InChIKey is BFCOTLRFUVVCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2FN/c1-11(13-9-16(19)15(18)10-14(13)17)20-8-7-12-5-3-2-4-6-12/h9-12,20H,2-8H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine?
N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine has a molecular weight of 318.26 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine is sourced from PubChem (CID 63450527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).