N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine

C16H25FN2 — CID 107878305

IUPACN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCC(C)CCN(Cc1ccc(F)c(CN)c1)C1CC1
InChIInChI=1S/C16H25FN2/c1-12(2)7-8-19(15-4-5-15)11-13-3-6-16(17)14(9-13)10-18/h3,6,9,12,15H,4-5,7-8,10-11,18H2,1-2H3
InChIKeyMSXRFUXUWNSIDC-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.29
Rot. Bonds7

About N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine

N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine (PubChem CID 107878305) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
PubChem CID107878305
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCC(C)CCN(Cc1ccc(F)c(CN)c1)C1CC1
InChIInChI=1S/C16H25FN2/c1-12(2)7-8-19(15-4-5-15)11-13-3-6-16(17)14(9-13)10-18/h3,6,9,12,15H,4-5,7-8,10-11,18H2,1-2H3
InChIKeyMSXRFUXUWNSIDC-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-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107453606
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107878711
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 79000673
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
CID 107878018
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
CID 43270092
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 54946800
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine
CID 103998191
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine
CID 102771592
N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454747
[2-fluoro-5-(3-methylbutylsulfinylmethyl)phenyl]methanamine
CID 114012326

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
The IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine (CID 107878305) is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
The canonical SMILES for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine is CC(C)CCN(Cc1ccc(F)c(CN)c1)C1CC1.
What is the InChIKey of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
The InChIKey is MSXRFUXUWNSIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)7-8-19(15-4-5-15)11-13-3-6-16(17)14(9-13)10-18/h3,6,9,12,15H,4-5,7-8,10-11,18H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine?
N-[[3-(aminomethyl)-4-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-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine is sourced from PubChem (CID 107878305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).