2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine

C15H23ClFN — CID 107887203

IUPAC2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)C(CNCC)c1ccc(F)cc1Cl
InChIInChI=1S/C15H23ClFN/c1-4-6-11(3)14(10-18-5-2)13-8-7-12(17)9-15(13)16/h7-9,11,14,18H,4-6,10H2,1-3H3
InChIKeyQISCUGUGVWRJBL-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.61
Rot. Bonds7

About 2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine

2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine (PubChem CID 107887203) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine
PubChem CID107887203
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)C(CNCC)c1ccc(F)cc1Cl
InChIInChI=1S/C15H23ClFN/c1-4-6-11(3)14(10-18-5-2)13-8-7-12(17)9-15(13)16/h7-9,11,14,18H,4-6,10H2,1-3H3
InChIKeyQISCUGUGVWRJBL-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107886981
1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 114013602
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine
CID 62946027
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene
CID 63433611
1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 104922106
4-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 55078163
2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107887170
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine (CID 107887203) is 2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine is CCCC(C)C(CNCC)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine?
The InChIKey is QISCUGUGVWRJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-4-6-11(3)14(10-18-5-2)13-8-7-12(17)9-15(13)16/h7-9,11,14,18H,4-6,10H2,1-3H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine?
2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine is sourced from PubChem (CID 107887203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).