N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine

C16H26FN — CID 115827935

IUPACN,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
SMILESCCCCC(CC)C(NCC)c1ccccc1F
InChIInChI=1S/C16H26FN/c1-4-7-10-13(5-2)16(18-6-3)14-11-8-9-12-15(14)17/h8-9,11-13,16,18H,4-7,10H2,1-3H3
InChIKeyGUSRKRXTXVJPKC-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.69
Rot. Bonds8

About N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine

N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine (PubChem CID 115827935) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
PubChem CID115827935
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
SMILESCCCCC(CC)C(NCC)c1ccccc1F
InChIInChI=1S/C16H26FN/c1-4-7-10-13(5-2)16(18-6-3)14-11-8-9-12-15(14)17/h8-9,11-13,16,18H,4-7,10H2,1-3H3
InChIKeyGUSRKRXTXVJPKC-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine
CID 105035820
N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 114282092
1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
CID 105027083
N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
CID 79747386
N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
CID 103136570
N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 115855168
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
CID 43561588
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
[2-ethyl-1-(2-methylphenyl)hexyl]hydrazine
CID 105286043

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine?
The IUPAC name of N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine (CID 115827935) is N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine?
The canonical SMILES for N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine is CCCCC(CC)C(NCC)c1ccccc1F.
What is the InChIKey of N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine?
The InChIKey is GUSRKRXTXVJPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-7-10-13(5-2)16(18-6-3)14-11-8-9-12-15(14)17/h8-9,11-13,16,18H,4-7,10H2,1-3H3.
What are the key properties of N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine?
N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine is sourced from PubChem (CID 115827935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).