N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine

C15H24FNO2 — CID 105044550

IUPACN-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)c(F)c1)C(C)CCOC
InChIInChI=1S/C15H24FNO2/c1-5-17-15(11(2)8-9-18-3)12-6-7-14(19-4)13(16)10-12/h6-7,10-11,15,17H,5,8-9H2,1-4H3
InChIKeyFTGLXMCEFRQFHR-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.16
Rot. Bonds8

About N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine

N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine (PubChem CID 105044550) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
PubChem CID105044550
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)c(F)c1)C(C)CCOC
InChIInChI=1S/C15H24FNO2/c1-5-17-15(11(2)8-9-18-3)12-6-7-14(19-4)13(16)10-12/h6-7,10-11,15,17H,5,8-9H2,1-4H3
InChIKeyFTGLXMCEFRQFHR-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044614
2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 79495027
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044410
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044284
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
N-ethyl-4-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 105185057
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
CID 79617446

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine (CID 105044550) is N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine is CCNC(c1ccc(OC)c(F)c1)C(C)CCOC.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
The InChIKey is FTGLXMCEFRQFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-5-17-15(11(2)8-9-18-3)12-6-7-14(19-4)13(16)10-12/h6-7,10-11,15,17H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105044550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).