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

C14H22FN — CID 106881356

IUPACN-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
SMILESCCCC(NCC)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H22FN/c1-5-7-13(16-6-2)14-11(4)8-10(3)9-12(14)15/h8-9,13,16H,5-7H2,1-4H3
InChIKeyADDMDEXGKPGXPE-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.89
Rot. Bonds5

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

N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine (PubChem CID 106881356) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
PubChem CID106881356
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
SMILESCCCC(NCC)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H22FN/c1-5-7-13(16-6-2)14-11(4)8-10(3)9-12(14)15/h8-9,13,16H,5-7H2,1-4H3
InChIKeyADDMDEXGKPGXPE-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106883936
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 106883837
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methylphenyl)ethanamine
CID 106881412
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106883923
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 106881532
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883381
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine (CID 106881356) is N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine is CCCC(NCC)c1c(C)cc(C)cc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine?
The InChIKey is ADDMDEXGKPGXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-7-13(16-6-2)14-11(4)8-10(3)9-12(14)15/h8-9,13,16H,5-7H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine?
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine is sourced from PubChem (CID 106881356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).