N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine

C15H24FNO — CID 103026306

IUPACN-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FNO/c1-6-17-14(10-15(3,4)18-5)12-7-8-13(16)11(2)9-12/h7-9,14,17H,6,10H2,1-5H3
InChIKeyMOYGNVYDWDECRW-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.60
Rot. Bonds6

About N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine

N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103026306) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103026306
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FNO/c1-6-17-14(10-15(3,4)18-5)12-7-8-13(16)11(2)9-12/h7-9,14,17H,6,10H2,1-5H3
InChIKeyMOYGNVYDWDECRW-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl-(2,2-dimethyl-tetrahydro-pyran-4-YL)-amine hydrochloride
CID 2871809
N-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-amine
CID 2871810
Pyrrolidine, 2-(2-methoxy-3-methyl-2-butenyl)-2-phenyl-
CID 15920820
N-((4-fluorophenyl)methyl)oxan-4-amine
CID 28958487
(2-Methoxy-1-(3-(trifluoromethyl)phenyl)ethyl)(methyl)amine
CID 54594213
[1-(4-Fluorophenyl)-2-methoxyethyl](methyl)amine
CID 61553432
N-[(2-fluorophenyl)methyl]oxan-4-amine
CID 43608432
(2-Methoxy-1-methyl-ethyl)-(3-methyl-benzyl)-amine
CID 2852613
N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 3145047
4-(4-fluorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
CID 53621829
(3-Ethoxypropyl)[(4-fluorophenyl)methyl]amine
CID 4716365
N-benzyl-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propan-1-amine
CID 2893920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine (CID 103026306) is N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine is CCNC(CC(C)(C)OC)c1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is MOYGNVYDWDECRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-17-14(10-15(3,4)18-5)12-7-8-13(16)11(2)9-12/h7-9,14,17H,6,10H2,1-5H3.
What are the key properties of N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine?
N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.60, 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-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103026306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).