N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine

C17H26FNO — CID 106878353

IUPACN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1c(C)cc(F)cc1C
InChIInChI=1S/C17H26FNO/c1-5-19-15(11-17(20-4)7-6-8-17)16-12(2)9-14(18)10-13(16)3/h9-10,15,19H,5-8,11H2,1-4H3
InChIKeyCOWRTPIJEVMGSK-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.05
Rot. Bonds6

About N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine

N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 106878353) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID106878353
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1c(C)cc(F)cc1C
InChIInChI=1S/C17H26FNO/c1-5-19-15(11-17(20-4)7-6-8-17)16-12(2)9-14(18)10-13(16)3/h9-10,15,19H,5-8,11H2,1-4H3
InChIKeyCOWRTPIJEVMGSK-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559886
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556467
2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 103556168
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556253
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106878239
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559896
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556420
1-(3-chlorophenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559092
N-ethyl-1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559311

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine (CID 106878353) is N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine is CCNC(CC1(OC)CCC1)c1c(C)cc(F)cc1C.
What is the InChIKey of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is COWRTPIJEVMGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-5-19-15(11-17(20-4)7-6-8-17)16-12(2)9-14(18)10-13(16)3/h9-10,15,19H,5-8,11H2,1-4H3.
What are the key properties of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 106878353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).