1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine

C13H19ClFN — CID 114886331

IUPAC1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1cc(Cl)ccc1F
InChIInChI=1S/C13H19ClFN/c1-3-5-6-13(16-4-2)11-9-10(14)7-8-12(11)15/h7-9,13,16H,3-6H2,1-2H3
InChIKeyVVQXPDJRHZGZSV-UHFFFAOYSA-N
MW243.75 g/mol
LogP4.32
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine

1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine (PubChem CID 114886331) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
PubChem CID114886331
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1cc(Cl)ccc1F
InChIInChI=1S/C13H19ClFN/c1-3-5-6-13(16-4-2)11-9-10(14)7-8-12(11)15/h7-9,13,16H,3-6H2,1-2H3
InChIKeyVVQXPDJRHZGZSV-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 114886474
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
1-(4-chloro-2,5-difluorophenyl)-N-ethylhexan-1-amine
CID 115837042
1-(2,5-difluorophenyl)-N-ethylbutan-1-amine
CID 43490158
1-(5-chloro-2-fluorophenyl)-N-propylhex-5-yn-1-amine
CID 114886581
N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine
CID 103302785
N-ethyl-1-(2,4,5-trifluorophenyl)heptan-1-amine
CID 103302611
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 78924376
1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 114886290
1-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylheptan-1-amine
CID 105398949

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine (CID 114886331) is 1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine is CCCCC(NCC)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine?
The InChIKey is VVQXPDJRHZGZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-3-5-6-13(16-4-2)11-9-10(14)7-8-12(11)15/h7-9,13,16H,3-6H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine?
1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine has a molecular weight of 243.75 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine is sourced from PubChem (CID 114886331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).