N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine

C13H19FN2 — CID 107455650

IUPACN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)CN(C)Cc1cc(CN)ccc1F
InChIInChI=1S/C13H19FN2/c1-10(2)8-16(3)9-12-6-11(7-15)4-5-13(12)14/h4-6H,1,7-9,15H2,2-3H3
InChIKeyRCVSJIAYHGNLRG-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.29
Rot. Bonds5

About N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine (PubChem CID 107455650) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine
PubChem CID107455650
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)CN(C)Cc1cc(CN)ccc1F
InChIInChI=1S/C13H19FN2/c1-10(2)8-16(3)9-12-6-11(7-15)4-5-13(12)14/h4-6H,1,7-9,15H2,2-3H3
InChIKeyRCVSJIAYHGNLRG-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79382406
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112657803
2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
CID 43373913
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 107878250
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine
CID 55001670
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 43569716
methyl 2-[[5-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63382910
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112657864
N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine
CID 107453965
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 107878095

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine (CID 107455650) is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine is C=C(C)CN(C)Cc1cc(CN)ccc1F.
What is the InChIKey of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine?
The InChIKey is RCVSJIAYHGNLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10(2)8-16(3)9-12-6-11(7-15)4-5-13(12)14/h4-6H,1,7-9,15H2,2-3H3.
What are the key properties of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine?
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.29, 5 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,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 107455650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).