N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine

C17H27FN2 — CID 107454794

IUPACN-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
SMILESCN(Cc1cc(CNC2CC2)ccc1F)CC(C)(C)C
InChIInChI=1S/C17H27FN2/c1-17(2,3)12-20(4)11-14-9-13(5-8-16(14)18)10-19-15-6-7-15/h5,8-9,15,19H,6-7,10-12H2,1-4H3
InChIKeyGBXAKOUWXXWJQC-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.56
Rot. Bonds6

About N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine

N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine (PubChem CID 107454794) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
PubChem CID107454794
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
SMILESCN(Cc1cc(CNC2CC2)ccc1F)CC(C)(C)C
InChIInChI=1S/C17H27FN2/c1-17(2,3)12-20(4)11-14-9-13(5-8-16(14)18)10-19-15-6-7-15/h5,8-9,15,19H,6-7,10-12H2,1-4H3
InChIKeyGBXAKOUWXXWJQC-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Analyze N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454401
N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454747
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 107454799
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107453586
N-[[5-[[2,2-dimethylpropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462274
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454402
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
N-[[3-[[cyclobutylmethyl(ethyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107455919
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
N-[[4-fluoro-3-(3,3,3-trifluoropropoxymethyl)phenyl]methyl]cyclopropanamine
CID 107457912
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454466
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine (CID 107454794) is N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine is CN(Cc1cc(CNC2CC2)ccc1F)CC(C)(C)C.
What is the InChIKey of N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is GBXAKOUWXXWJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-17(2,3)12-20(4)11-14-9-13(5-8-16(14)18)10-19-15-6-7-15/h5,8-9,15,19H,6-7,10-12H2,1-4H3.
What are the key properties of N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine?
N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 278.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107454794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).