N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine

C17H27FN2 — CID 107455700

IUPACN-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
SMILESCC(C)CNCc1ccc(F)c(CN(C)C2CCC2)c1
InChIInChI=1S/C17H27FN2/c1-13(2)10-19-11-14-7-8-17(18)15(9-14)12-20(3)16-5-4-6-16/h7-9,13,16,19H,4-6,10-12H2,1-3H3
InChIKeyMBCOTQQIPXGYOM-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.56
Rot. Bonds7

About N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine

N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine (PubChem CID 107455700) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
PubChem CID107455700
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
SMILESCC(C)CNCc1ccc(F)c(CN(C)C2CCC2)c1
InChIInChI=1S/C17H27FN2/c1-13(2)10-19-11-14-7-8-17(18)15(9-14)12-20(3)16-5-4-6-16/h7-9,13,16,19H,4-6,10-12H2,1-3H3
InChIKeyMBCOTQQIPXGYOM-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454897
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 107454052
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyloxan-4-amine
CID 107454373
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 107453578
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
N-[[3-[[ethyl(2-methylpropyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454147
N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107457131
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 107454523
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453693

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine?
The IUPAC name of N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine (CID 107455700) is N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine.
What is the SMILES notation for N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine?
The canonical SMILES for N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine is CC(C)CNCc1ccc(F)c(CN(C)C2CCC2)c1.
What is the InChIKey of N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine?
The InChIKey is MBCOTQQIPXGYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)10-19-11-14-7-8-17(18)15(9-14)12-20(3)16-5-4-6-16/h7-9,13,16,19H,4-6,10-12H2,1-3H3.
What are the key properties of N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine?
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine has a molecular weight of 278.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine is sourced from PubChem (CID 107455700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).