N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine

C18H21FN2 — CID 107113137

IUPACN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine
SMILESNCc1cccc(CN(Cc2ccccc2)C2CC2)c1F
InChIInChI=1S/C18H21FN2/c19-18-15(11-20)7-4-8-16(18)13-21(17-9-10-17)12-14-5-2-1-3-6-14/h1-8,17H,9-13,20H2
InChIKeyCNUJFXIJVGZPDM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.45
Rot. Bonds6

About N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine

N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine (PubChem CID 107113137) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine
PubChem CID107113137
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine
SMILESNCc1cccc(CN(Cc2ccccc2)C2CC2)c1F
InChIInChI=1S/C18H21FN2/c19-18-15(11-20)7-4-8-16(18)13-21(17-9-10-17)12-14-5-2-1-3-6-14/h1-8,17H,9-13,20H2
InChIKeyCNUJFXIJVGZPDM-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
N,N-dibenzylcyclobutanamine
CID 70822586
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclopropanamine
CID 43263914
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine
CID 43575852
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
CID 107113490
N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine
CID 71237036
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine?
The IUPAC name of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine (CID 107113137) is N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine?
The canonical SMILES for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine is NCc1cccc(CN(Cc2ccccc2)C2CC2)c1F.
What is the InChIKey of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine?
The InChIKey is CNUJFXIJVGZPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-18-15(11-20)7-4-8-16(18)13-21(17-9-10-17)12-14-5-2-1-3-6-14/h1-8,17H,9-13,20H2.
What are the key properties of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine?
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine has a molecular weight of 284.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine is sourced from PubChem (CID 107113137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).