N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine

C15H24FNO2 — CID 107696080

IUPACN-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine
SMILESCOCCC(C)Oc1ccc(F)cc1CNC(C)C
InChIInChI=1S/C15H24FNO2/c1-11(2)17-10-13-9-14(16)5-6-15(13)19-12(3)7-8-18-4/h5-6,9,11-12,17H,7-8,10H2,1-4H3
InChIKeyMJFBWTKOISQJMP-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.13
Rot. Bonds8

About N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine

N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine (PubChem CID 107696080) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine
PubChem CID107696080
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine
SMILESCOCCC(C)Oc1ccc(F)cc1CNC(C)C
InChIInChI=1S/C15H24FNO2/c1-11(2)17-10-13-9-14(16)5-6-15(13)19-12(3)7-8-18-4/h5-6,9,11-12,17H,7-8,10H2,1-4H3
InChIKeyMJFBWTKOISQJMP-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376
[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 107698403
methyl 4-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 107696219
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 107696192
4-fluoro-2-(4-methoxybutan-2-yloxy)-1-nitrobenzene
CID 115687928
4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
CID 107696082
N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 107696193
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 107696197
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314300

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine (CID 107696080) is N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine is COCCC(C)Oc1ccc(F)cc1CNC(C)C.
What is the InChIKey of N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine?
The InChIKey is MJFBWTKOISQJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11(2)17-10-13-9-14(16)5-6-15(13)19-12(3)7-8-18-4/h5-6,9,11-12,17H,7-8,10H2,1-4H3.
What are the key properties of N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine has a molecular weight of 269.36 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107696080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).