5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine

C18H30FN — CID 143454366

IUPAC5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine
SMILESCCC(CCC(C)CN)C(C)c1cc(C)cc(F)c1C
InChIInChI=1S/C18H30FN/c1-6-16(8-7-12(2)11-20)14(4)17-9-13(3)10-18(19)15(17)5/h9-10,12,14,16H,6-8,11,20H2,1-5H3
InChIKeyQOSLSKQSTVVAQP-UHFFFAOYSA-N
MW279.44 g/mol
LogP4.95
Rot. Bonds7

About 5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine

5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine (PubChem CID 143454366) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine.

Molecular Properties

Compound Name5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine
PubChem CID143454366
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine
SMILESCCC(CCC(C)CN)C(C)c1cc(C)cc(F)c1C
InChIInChI=1S/C18H30FN/c1-6-16(8-7-12(2)11-20)14(4)17-9-13(3)10-18(19)15(17)5/h9-10,12,14,16H,6-8,11,20H2,1-5H3
InChIKeyQOSLSKQSTVVAQP-UHFFFAOYSA-N
XLogP4.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine?
The IUPAC name of 5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine (CID 143454366) is 5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine.
What is the SMILES notation for 5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine?
The canonical SMILES for 5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine is CCC(CCC(C)CN)C(C)c1cc(C)cc(F)c1C.
What is the InChIKey of 5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine?
The InChIKey is QOSLSKQSTVVAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-6-16(8-7-12(2)11-20)14(4)17-9-13(3)10-18(19)15(17)5/h9-10,12,14,16H,6-8,11,20H2,1-5H3.
What are the key properties of 5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine?
5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine is sourced from PubChem (CID 143454366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).