N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine

C16H26FNO2 — CID 107458020

IUPACN-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine
SMILESCCOCC(C)OCc1cc(CNC(C)C)ccc1F
InChIInChI=1S/C16H26FNO2/c1-5-19-10-13(4)20-11-15-8-14(6-7-16(15)17)9-18-12(2)3/h6-8,12-13,18H,5,9-11H2,1-4H3
InChIKeyJFTWAYDGHZUMFV-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.27
Rot. Bonds9

About N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine

N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine (PubChem CID 107458020) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine
PubChem CID107458020
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC NameN-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine
SMILESCCOCC(C)OCc1cc(CNC(C)C)ccc1F
InChIInChI=1S/C16H26FNO2/c1-5-19-10-13(4)20-11-15-8-14(6-7-16(15)17)9-18-12(2)3/h6-8,12-13,18H,5,9-11H2,1-4H3
InChIKeyJFTWAYDGHZUMFV-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 107457998
1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine
CID 107457726
N-[[4-fluoro-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]propan-2-amine
CID 107458042
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455460
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107455111
N-[[4-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]phenyl]methyl]ethanamine
CID 107458028
N-[[3-[[ethyl(prop-2-enyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455498
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol
CID 114114858
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine (CID 107458020) is N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine is CCOCC(C)OCc1cc(CNC(C)C)ccc1F.
What is the InChIKey of N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine?
The InChIKey is JFTWAYDGHZUMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-5-19-10-13(4)20-11-15-8-14(6-7-16(15)17)9-18-12(2)3/h6-8,12-13,18H,5,9-11H2,1-4H3.
What are the key properties of N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine?
N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 107458020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).