2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine

C17H28FN — CID 106878938

IUPAC2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1c(C)cc(F)cc1C)C(CC)CC
InChIInChI=1S/C17H28FN/c1-6-9-19-17(14(7-2)8-3)16-12(4)10-15(18)11-13(16)5/h10-11,14,17,19H,6-9H2,1-5H3
InChIKeyLEUOUCNIKPATCS-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.92
Rot. Bonds7

About 2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine

2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine (PubChem CID 106878938) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine
PubChem CID106878938
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1c(C)cc(F)cc1C)C(CC)CC
InChIInChI=1S/C17H28FN/c1-6-9-19-17(14(7-2)8-3)16-12(4)10-15(18)11-13(16)5/h10-11,14,17,19H,6-9H2,1-5H3
InChIKeyLEUOUCNIKPATCS-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 82985195
2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43495812
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 81157389
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
1-(2-chloro-4,5-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 107476596
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 115862073
N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491112
N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine (CID 106878938) is 2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine is CCCNC(c1c(C)cc(F)cc1C)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine?
The InChIKey is LEUOUCNIKPATCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-6-9-19-17(14(7-2)8-3)16-12(4)10-15(18)11-13(16)5/h10-11,14,17,19H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine?
2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 106878938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).