N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine

C16H26FN — CID 106881531

IUPACN-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H26FN/c1-7-18-14(10-16(4,5)6)15-12(3)8-11(2)9-13(15)17/h8-9,14,18H,7,10H2,1-6H3
InChIKeyCPJWDUNFBVARHU-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.53
Rot. Bonds4

About N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine

N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 106881531) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
PubChem CID106881531
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H26FN/c1-7-18-14(10-16(4,5)6)15-12(3)8-11(2)9-13(15)17/h8-9,14,18H,7,10H2,1-6H3
InChIKeyCPJWDUNFBVARHU-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
CID 43491139
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 106881532
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106883936
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methylphenyl)ethanamine
CID 106881412
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 106883837
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883381
N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine
CID 106882034
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883887
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine (CID 106881531) is N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1c(C)cc(C)cc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is CPJWDUNFBVARHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-7-18-14(10-16(4,5)6)15-12(3)8-11(2)9-13(15)17/h8-9,14,18H,7,10H2,1-6H3.
What are the key properties of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine?
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.53, 4 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)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 106881531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).