2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine

C16H26FN — CID 63488379

IUPAC2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)CNCCc1cccc(F)c1
InChIInChI=1S/C16H26FN/c1-3-5-7-14(4-2)13-18-11-10-15-8-6-9-16(17)12-15/h6,8-9,12,14,18H,3-5,7,10-11,13H2,1-2H3
InChIKeyKEEJLPUBALVWJN-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.17
Rot. Bonds9

About 2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine

2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine (PubChem CID 63488379) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine
PubChem CID63488379
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)CNCCc1cccc(F)c1
InChIInChI=1S/C16H26FN/c1-3-5-7-14(4-2)13-18-11-10-15-8-6-9-16(17)12-15/h6,8-9,12,14,18H,3-5,7,10-11,13H2,1-2H3
InChIKeyKEEJLPUBALVWJN-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64666671
N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83157209
N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine
CID 114871074
2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
CID 103601437
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
1-[2-(chloromethyl)-4-ethyloctyl]-3-fluorobenzene
CID 66047696
1-(2-ethylhexyl)-3-(3-fluorophenyl)thiourea
CID 19651728
3,3-diethoxy-N-[2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81093421
acetylene;1-butyl-3-fluorobenzene
CID 142913636
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine (CID 63488379) is 2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine is CCCCC(CC)CNCCc1cccc(F)c1.
What is the InChIKey of 2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine?
The InChIKey is KEEJLPUBALVWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-3-5-7-14(4-2)13-18-11-10-15-8-6-9-16(17)12-15/h6,8-9,12,14,18H,3-5,7,10-11,13H2,1-2H3.
What are the key properties of 2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine?
2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine is sourced from PubChem (CID 63488379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).