N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine

C17H28FN — CID 79747386

IUPACN,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
SMILESCCCCC(CC)C(NCC)c1ccc(F)c(C)c1
InChIInChI=1S/C17H28FN/c1-5-8-9-14(6-2)17(19-7-3)15-10-11-16(18)13(4)12-15/h10-12,14,17,19H,5-9H2,1-4H3
InChIKeyKDOMFZUSBXTWJG-UHFFFAOYSA-N
MW265.42 g/mol
LogP5.00
Rot. Bonds8

About N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine

N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine (PubChem CID 79747386) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
PubChem CID79747386
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
SMILESCCCCC(CC)C(NCC)c1ccc(F)c(C)c1
InChIInChI=1S/C17H28FN/c1-5-8-9-14(6-2)17(19-7-3)15-10-11-16(18)13(4)12-15/h10-12,14,17,19H,5-9H2,1-4H3
InChIKeyKDOMFZUSBXTWJG-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine
CID 79747552
1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
CID 105027083
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine
CID 63020243
1-(4-butylphenyl)-N,2-diethylhexan-1-amine
CID 63507624
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935
N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491112
1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 105022228
2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487417
N,2-diethyl-1-quinolin-7-ylhexan-1-amine
CID 105021496
2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82315086
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine?
The IUPAC name of N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine (CID 79747386) is N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine?
The canonical SMILES for N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine is CCCCC(CC)C(NCC)c1ccc(F)c(C)c1.
What is the InChIKey of N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine?
The InChIKey is KDOMFZUSBXTWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-5-8-9-14(6-2)17(19-7-3)15-10-11-16(18)13(4)12-15/h10-12,14,17,19H,5-9H2,1-4H3.
What are the key properties of N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine?
N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 5.00, 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-(4-fluoro-3-methylphenyl)hexan-1-amine is sourced from PubChem (CID 79747386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).