N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine

C17H28FN — CID 55195481

IUPACN,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-4-7-12-17(5-2,14-19-6-3)13-15-8-10-16(18)11-9-15/h8-11,19H,4-7,12-14H2,1-3H3
InChIKeyGVMBUPGAUYYKCG-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.56
Rot. Bonds9

About N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine

N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine (PubChem CID 55195481) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
PubChem CID55195481
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-4-7-12-17(5-2,14-19-6-3)13-15-8-10-16(18)11-9-15/h8-11,19H,4-7,12-14H2,1-3H3
InChIKeyGVMBUPGAUYYKCG-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

N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
CID 63509469
2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893
1-(2-ethyl-2-propylpentyl)-4-fluorobenzene
CID 130370949
2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 63507037
2-ethyl-2-[(4-iodophenyl)methyl]-N-methylhexan-1-amine
CID 65489923
2-ethyl-N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 63508272
2-[(3-bromo-5-fluorophenyl)methyl]-2-ethyl-N-propylhexan-1-amine
CID 79697364
2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
CID 63508597
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175
N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine
CID 105408236
2-ethyl-2-[(4-fluorophenyl)methyl]hexanoic acid
CID 62738535
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine
CID 64777521

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine?
The IUPAC name of N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine (CID 55195481) is N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine.
What is the SMILES notation for N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine?
The canonical SMILES for N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine is CCCCC(CC)(CNCC)Cc1ccc(F)cc1.
What is the InChIKey of N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine?
The InChIKey is GVMBUPGAUYYKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-4-7-12-17(5-2,14-19-6-3)13-15-8-10-16(18)11-9-15/h8-11,19H,4-7,12-14H2,1-3H3.
What are the key properties of N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine?
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-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,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine is sourced from PubChem (CID 55195481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).