N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine

C16H24FNO — CID 107457131

IUPACN-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(F)c(COCC2CC2)c1
InChIInChI=1S/C16H24FNO/c1-12(2)8-18-9-14-5-6-16(17)15(7-14)11-19-10-13-3-4-13/h5-7,12-13,18H,3-4,8-11H2,1-2H3
InChIKeyQHFHAIYXXYUSOL-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.50
Rot. Bonds8

About N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine

N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107457131) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
PubChem CID107457131
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(F)c(COCC2CC2)c1
InChIInChI=1S/C16H24FNO/c1-12(2)8-18-9-14-5-6-16(17)15(7-14)11-19-10-13-3-4-13/h5-7,12-13,18H,3-4,8-11H2,1-2H3
InChIKeyQHFHAIYXXYUSOL-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107456800
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457094
1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107457623
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454897
N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 66322072
N-[[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 107457069
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 105349885
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933
N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457193

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine (CID 107457131) is N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(F)c(COCC2CC2)c1.
What is the InChIKey of N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is QHFHAIYXXYUSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12(2)8-18-9-14-5-6-16(17)15(7-14)11-19-10-13-3-4-13/h5-7,12-13,18H,3-4,8-11H2,1-2H3.
What are the key properties of N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107457131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).