N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine

C14H21FN2 — CID 43270092

IUPACN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1cc(CN)ccc1F)C1CC1
InChIInChI=1S/C14H21FN2/c1-2-7-17(13-4-5-13)10-12-8-11(9-16)3-6-14(12)15/h3,6,8,13H,2,4-5,7,9-10,16H2,1H3
InChIKeyFGKGKGQWNZOOFG-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.66
Rot. Bonds6

About N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine (PubChem CID 43270092) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
PubChem CID43270092
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1cc(CN)ccc1F)C1CC1
InChIInChI=1S/C14H21FN2/c1-2-7-17(13-4-5-13)10-12-8-11(9-16)3-6-14(12)15/h3,6,8,13H,2,4-5,7,9-10,16H2,1H3
InChIKeyFGKGKGQWNZOOFG-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 54946800
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107878305
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
CID 107878018
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860629
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
CID 63887449
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107453606
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-propylcyclopropanamine
CID 62422354
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530076

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine (CID 43270092) is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine is CCCN(Cc1cc(CN)ccc1F)C1CC1.
What is the InChIKey of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine?
The InChIKey is FGKGKGQWNZOOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-7-17(13-4-5-13)10-12-8-11(9-16)3-6-14(12)15/h3,6,8,13H,2,4-5,7,9-10,16H2,1H3.
What are the key properties of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine?
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine has a molecular weight of 236.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 43270092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).