N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine

C17H27FN2O — CID 107454466

IUPACN-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
SMILESCCN(Cc1cc(CNC2CC2)ccc1F)C(C)COC
InChIInChI=1S/C17H27FN2O/c1-4-20(13(2)12-21-3)11-15-9-14(5-8-17(15)18)10-19-16-6-7-16/h5,8-9,13,16,19H,4,6-7,10-12H2,1-3H3
InChIKeyPWCXUGKSQBJNFA-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.93
Rot. Bonds9

About N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine

N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine (PubChem CID 107454466) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
PubChem CID107454466
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
SMILESCCN(Cc1cc(CNC2CC2)ccc1F)C(C)COC
InChIInChI=1S/C17H27FN2O/c1-4-20(13(2)12-21-3)11-15-9-14(5-8-17(15)18)10-19-16-6-7-16/h5,8-9,13,16,19H,4,6-7,10-12H2,1-3H3
InChIKeyPWCXUGKSQBJNFA-UHFFFAOYSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107453586
N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454747
N-[[3-[[cyclobutylmethyl(ethyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107455919
N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454794
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454401
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454507
N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 107455188
N-[[4-fluoro-3-(3,3,3-trifluoropropoxymethyl)phenyl]methyl]cyclopropanamine
CID 107457912
N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 107457220
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine (CID 107454466) is N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine is CCN(Cc1cc(CNC2CC2)ccc1F)C(C)COC.
What is the InChIKey of N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is PWCXUGKSQBJNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-20(13(2)12-21-3)11-15-9-14(5-8-17(15)18)10-19-16-6-7-16/h5,8-9,13,16,19H,4,6-7,10-12H2,1-3H3.
What are the key properties of N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine?
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 294.41 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107454466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).