N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine

C17H27FN2 — CID 107453606

IUPACN-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCNCc1ccc(F)c(CN(CCC(C)C)C2CC2)c1
InChIInChI=1S/C17H27FN2/c1-13(2)8-9-20(16-5-6-16)12-15-10-14(11-19-3)4-7-17(15)18/h4,7,10,13,16,19H,5-6,8-9,11-12H2,1-3H3
InChIKeyRYWNYXXIWAQFPP-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.56
Rot. Bonds8

About N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine

N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine (PubChem CID 107453606) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
PubChem CID107453606
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCNCc1ccc(F)c(CN(CCC(C)C)C2CC2)c1
InChIInChI=1S/C17H27FN2/c1-13(2)8-9-20(16-5-6-16)12-15-10-14(11-19-3)4-7-17(15)18/h4,7,10,13,16,19H,5-6,8-9,11-12H2,1-3H3
InChIKeyRYWNYXXIWAQFPP-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107878305
N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454747
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 107453632
N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine
CID 78990082
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78989912
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 79000673
N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62019654
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
CID 43270092
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine
CID 102771582
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 107454523
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 54946800
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
The IUPAC name of N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine (CID 107453606) is N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine is CNCc1ccc(F)c(CN(CCC(C)C)C2CC2)c1.
What is the InChIKey of N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
The InChIKey is RYWNYXXIWAQFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)8-9-20(16-5-6-16)12-15-10-14(11-19-3)4-7-17(15)18/h4,7,10,13,16,19H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine has a molecular weight of 278.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine is sourced from PubChem (CID 107453606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).