N-ethyl-2-(2-fluorophenyl)hexan-3-amine

C14H22FN — CID 83051211

IUPACN-ethyl-2-(2-fluorophenyl)hexan-3-amine
SMILESCCCC(NCC)C(C)c1ccccc1F
InChIInChI=1S/C14H22FN/c1-4-8-14(16-5-2)11(3)12-9-6-7-10-13(12)15/h6-7,9-11,14,16H,4-5,8H2,1-3H3
InChIKeyBAKLJQGDJBYTSN-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.71
Rot. Bonds6

About N-ethyl-2-(2-fluorophenyl)hexan-3-amine

N-ethyl-2-(2-fluorophenyl)hexan-3-amine (PubChem CID 83051211) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)hexan-3-amine
PubChem CID83051211
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-2-(2-fluorophenyl)hexan-3-amine
SMILESCCCC(NCC)C(C)c1ccccc1F
InChIInChI=1S/C14H22FN/c1-4-8-14(16-5-2)11(3)12-9-6-7-10-13(12)15/h6-7,9-11,14,16H,4-5,8H2,1-3H3
InChIKeyBAKLJQGDJBYTSN-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(2-methoxyphenyl)hexan-3-amine
CID 83050697
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
2-(2,3-difluorophenyl)-N-propylhexan-3-amine
CID 114059600
1-(3-bromohexan-2-yl)-2-fluorobenzene
CID 83051782
N-ethyl-2-(3-fluorophenyl)hexan-3-amine
CID 83051952
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644486
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 114282092
2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine
CID 83051112
3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 81016538
1-(4-bromoheptan-3-yl)-2-fluorobenzene
CID 112680311
N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)hexan-3-amine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)hexan-3-amine (CID 83051211) is N-ethyl-2-(2-fluorophenyl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)hexan-3-amine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)hexan-3-amine is CCCC(NCC)C(C)c1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)hexan-3-amine?
The InChIKey is BAKLJQGDJBYTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-8-14(16-5-2)11(3)12-9-6-7-10-13(12)15/h6-7,9-11,14,16H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)hexan-3-amine?
N-ethyl-2-(2-fluorophenyl)hexan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)hexan-3-amine is sourced from PubChem (CID 83051211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).