N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine

C15H24FNO — CID 112609626

IUPACN-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
SMILESCCCC(C)COc1c(F)cccc1CNCC
InChIInChI=1S/C15H24FNO/c1-4-7-12(3)11-18-15-13(10-17-5-2)8-6-9-14(15)16/h6,8-9,12,17H,4-5,7,10-11H2,1-3H3
InChIKeyUIEBGZHCXYNJNW-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.75
Rot. Bonds8

About N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine

N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine (PubChem CID 112609626) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
PubChem CID112609626
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
SMILESCCCC(C)COc1c(F)cccc1CNCC
InChIInChI=1S/C15H24FNO/c1-4-7-12(3)11-18-15-13(10-17-5-2)8-6-9-14(15)16/h6,8-9,12,17H,4-5,7,10-11H2,1-3H3
InChIKeyUIEBGZHCXYNJNW-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 112609565
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
1-butoxy-3-[2-(ethylaminomethyl)-6-fluorophenoxy]propan-2-ol
CID 107262389
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
1-[3-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 114058958
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115953319
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine (CID 112609626) is N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine is CCCC(C)COc1c(F)cccc1CNCC.
What is the InChIKey of N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine?
The InChIKey is UIEBGZHCXYNJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-7-12(3)11-18-15-13(10-17-5-2)8-6-9-14(15)16/h6,8-9,12,17H,4-5,7,10-11H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine?
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine has a molecular weight of 253.36 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 112609626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).