N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine

C16H25FN2 — CID 79000673

IUPACN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCC(C)CCN(Cc1cc(F)ccc1CN)C1CC1
InChIInChI=1S/C16H25FN2/c1-12(2)7-8-19(16-5-6-16)11-14-9-15(17)4-3-13(14)10-18/h3-4,9,12,16H,5-8,10-11,18H2,1-2H3
InChIKeyQFJIKEULRIYEPN-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.29
Rot. Bonds7

About N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine

N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine (PubChem CID 79000673) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
PubChem CID79000673
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCC(C)CCN(Cc1cc(F)ccc1CN)C1CC1
InChIInChI=1S/C16H25FN2/c1-12(2)7-8-19(16-5-6-16)11-14-9-15(17)4-3-13(14)10-18/h3-4,9,12,16H,5-8,10-11,18H2,1-2H3
InChIKeyQFJIKEULRIYEPN-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.29
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-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 64770083
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine
CID 102771592
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
4-chloro-3-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 78973855
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107453606
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-5-fluorobenzenecarbothioamide
CID 55172130
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
[4-fluoro-2-(3-methylbutoxymethyl)phenyl]methanamine
CID 64764838
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481863
3-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methylaniline
CID 78973865
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-3-methylbenzonitrile
CID 114481111

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
The IUPAC name of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine (CID 79000673) is N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
The canonical SMILES for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine is CC(C)CCN(Cc1cc(F)ccc1CN)C1CC1.
What is the InChIKey of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
The InChIKey is QFJIKEULRIYEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)7-8-19(16-5-6-16)11-14-9-15(17)4-3-13(14)10-18/h3-4,9,12,16H,5-8,10-11,18H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine has a molecular weight of 264.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine is sourced from PubChem (CID 79000673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).