1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine

C17H27ClFN — CID 102867344

IUPAC1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1cccc(Cl)c1F)NCC
InChIInChI=1S/C17H27ClFN/c1-4-8-13(9-5-2)16(20-6-3)12-14-10-7-11-15(18)17(14)19/h7,10-11,13,16,20H,4-6,8-9,12H2,1-3H3
InChIKeyGAPJLYWLPJMZOX-UHFFFAOYSA-N
MW299.86 g/mol
LogP5.22
Rot. Bonds9

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

1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine (PubChem CID 102867344) has the molecular formula C17H27ClFN and a molecular weight of 299.86 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
PubChem CID102867344
Molecular FormulaC17H27ClFN
Molecular Weight299.86 g/mol
Exact Mass299.18
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1cccc(Cl)c1F)NCC
InChIInChI=1S/C17H27ClFN/c1-4-8-13(9-5-2)16(20-6-3)12-14-10-7-11-15(18)17(14)19/h7,10-11,13,16,20H,4-6,8-9,12H2,1-3H3
InChIKeyGAPJLYWLPJMZOX-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-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987218
[1-(3-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 102868832
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine
CID 82987589
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylpentan-1-amine
CID 102858667
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
3-(2,3-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 107311776
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 102858672

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine (CID 102867344) is 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine is CCCC(CCC)C(Cc1cccc(Cl)c1F)NCC.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine?
The InChIKey is GAPJLYWLPJMZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClFN/c1-4-8-13(9-5-2)16(20-6-3)12-14-10-7-11-15(18)17(14)19/h7,10-11,13,16,20H,4-6,8-9,12H2,1-3H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine?
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-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-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine is sourced from PubChem (CID 102867344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).