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

C17H28FN — CID 114871074

IUPAC2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine
SMILESCCCCC(CC)CNC(CC)c1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-4-7-9-14(5-2)13-19-17(6-3)15-10-8-11-16(18)12-15/h8,10-12,14,17,19H,4-7,9,13H2,1-3H3
InChIKeyIYAQYKGQKYUENC-UHFFFAOYSA-N
MW265.42 g/mol
LogP5.08
Rot. Bonds9

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

2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine (PubChem CID 114871074) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine
PubChem CID114871074
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine
SMILESCCCCC(CC)CNC(CC)c1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-4-7-9-14(5-2)13-19-17(6-3)15-10-8-11-16(18)12-15/h8,10-12,14,17,19H,4-7,9,13H2,1-3H3
InChIKeyIYAQYKGQKYUENC-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine
CID 63488379
3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide
CID 106170791
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
4-ethyl-2-(3-fluorophenyl)octanoic acid
CID 79440327
3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
CID 114871859
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
CID 43103346
N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
CID 103522681
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine (CID 114871074) is 2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine is CCCCC(CC)CNC(CC)c1cccc(F)c1.
What is the InChIKey of 2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine?
The InChIKey is IYAQYKGQKYUENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-4-7-9-14(5-2)13-19-17(6-3)15-10-8-11-16(18)12-15/h8,10-12,14,17,19H,4-7,9,13H2,1-3H3.
What are the key properties of 2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine?
2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine is sourced from PubChem (CID 114871074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).