1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine

C13H19FN2 — CID 115244695

IUPAC1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
SMILESCNCC1(CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2/c1-15-9-13(6-7-13)10-16-8-11-2-4-12(14)5-3-11/h2-5,15-16H,6-10H2,1H3
InChIKeyYZDXZKDXAQWGSD-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.91
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine

1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine (PubChem CID 115244695) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
PubChem CID115244695
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
SMILESCNCC1(CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2/c1-15-9-13(6-7-13)10-16-8-11-2-4-12(14)5-3-11/h2-5,15-16H,6-10H2,1H3
InChIKeyYZDXZKDXAQWGSD-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244691
1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724392
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 115244732
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one
CID 115244726
N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720014
1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906604
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-(3,4-dihydro-2H-chromen-6-yl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244745
cis-(1S,2R)-4-[[(4-fluorophenyl)methylamino]methyl]-4-(methoxymethyl)cyclopentane-1,2-diol;hydrochloride
CID 146119607
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine
CID 115244887
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 115244133

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine (CID 115244695) is 1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine is CNCC1(CNCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine?
The InChIKey is YZDXZKDXAQWGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-15-9-13(6-7-13)10-16-8-11-2-4-12(14)5-3-11/h2-5,15-16H,6-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine?
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine has a molecular weight of 222.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine is sourced from PubChem (CID 115244695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).