1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine

C17H27ClFN — CID 102622959

IUPAC1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(F)ccc1Cl)NCC
InChIInChI=1S/C17H27ClFN/c1-4-7-8-13(5-2)17(20-6-3)12-14-11-15(19)9-10-16(14)18/h9-11,13,17,20H,4-8,12H2,1-3H3
InChIKeyNIANQGIQRIPSEB-UHFFFAOYSA-N
MW299.86 g/mol
LogP5.22
Rot. Bonds9

About 1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine

1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine (PubChem CID 102622959) has the molecular formula C17H27ClFN and a molecular weight of 299.86 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
PubChem CID102622959
Molecular FormulaC17H27ClFN
Molecular Weight299.86 g/mol
Exact Mass299.18
IUPAC Name1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(F)ccc1Cl)NCC
InChIInChI=1S/C17H27ClFN/c1-4-7-8-13(5-2)17(20-6-3)12-14-11-15(19)9-10-16(14)18/h9-11,13,17,20H,4-8,12H2,1-3H3
InChIKeyNIANQGIQRIPSEB-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.86
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 102619350
[1-(2-chloro-5-fluorophenyl)-2-ethylhexyl]hydrazine
CID 105398110
[1-(2-bromo-4-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105296661
[1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105342705
1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 105015533
[1-(3-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 102868832
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine
CID 115843078
1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 102619141
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 102619358
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine (CID 102622959) is 1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine is CCCCC(CC)C(Cc1cc(F)ccc1Cl)NCC.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine?
The InChIKey is NIANQGIQRIPSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClFN/c1-4-7-8-13(5-2)17(20-6-3)12-14-11-15(19)9-10-16(14)18/h9-11,13,17,20H,4-8,12H2,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine?
1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine has a molecular weight of 299.86 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine is sourced from PubChem (CID 102622959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).