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

C17H28FN — CID 82987589

IUPACN-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1cccc(F)c1)NCC
InChIInChI=1S/C17H28FN/c1-4-8-15(9-5-2)17(19-6-3)13-14-10-7-11-16(18)12-14/h7,10-12,15,17,19H,4-6,8-9,13H2,1-3H3
InChIKeyZCDMSCLLXTVBEX-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.56
Rot. Bonds9

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

N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine (PubChem CID 82987589) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine
PubChem CID82987589
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1cccc(F)c1)NCC
InChIInChI=1S/C17H28FN/c1-4-8-15(9-5-2)17(19-6-3)13-14-10-7-11-16(18)12-14/h7,10-12,15,17,19H,4-6,8-9,13H2,1-3H3
InChIKeyZCDMSCLLXTVBEX-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-fluorophenyl)-3-propylhexan-2-yl]hydrazine
CID 105286352
N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
CID 114246287
[1-(3-fluorophenyl)-3-methylhexan-2-yl]hydrazine
CID 105286424
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82986935
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
[1-(3-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
N-ethyl-2-(3-fluorophenyl)hexan-3-amine
CID 83051952
N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
CID 83161562
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987218

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine (CID 82987589) is N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine is CCCC(CCC)C(Cc1cccc(F)c1)NCC.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine?
The InChIKey is ZCDMSCLLXTVBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-4-8-15(9-5-2)17(19-6-3)13-14-10-7-11-16(18)12-14/h7,10-12,15,17,19H,4-6,8-9,13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine?
N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine is sourced from PubChem (CID 82987589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).