1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine

C17H27ClFN — CID 82987218

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1c(F)cccc1Cl)NCC
InChIInChI=1S/C17H27ClFN/c1-4-8-13(9-5-2)17(20-6-3)12-14-15(18)10-7-11-16(14)19/h7,10-11,13,17,20H,4-6,8-9,12H2,1-3H3
InChIKeyKGJKPQXLDIHJJG-UHFFFAOYSA-N
MW299.86 g/mol
LogP5.22
Rot. Bonds9

About 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine

1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine (PubChem CID 82987218) has the molecular formula C17H27ClFN and a molecular weight of 299.86 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
PubChem CID82987218
Molecular FormulaC17H27ClFN
Molecular Weight299.86 g/mol
Exact Mass299.18
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1c(F)cccc1Cl)NCC
InChIInChI=1S/C17H27ClFN/c1-4-8-13(9-5-2)17(20-6-3)12-14-15(18)10-7-11-16(14)19/h7,10-11,13,17,20H,4-6,8-9,12H2,1-3H3
InChIKeyKGJKPQXLDIHJJG-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-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 102867344
[1-(2-chloro-6-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105215890
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718291
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 116717748
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762
[1-(2-chloro-6-fluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105215968
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine
CID 82987589
5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
CID 64504471
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine (CID 82987218) is 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine is CCCC(CCC)C(Cc1c(F)cccc1Cl)NCC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine?
The InChIKey is KGJKPQXLDIHJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClFN/c1-4-8-13(9-5-2)17(20-6-3)12-14-15(18)10-7-11-16(14)19/h7,10-11,13,17,20H,4-6,8-9,12H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine?
1-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine is sourced from PubChem (CID 82987218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).