N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine

C15H25FN2 — CID 55001670

IUPACN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)Cc1cc(CN)ccc1F
InChIInChI=1S/C15H25FN2/c1-11(2)7-12(3)18(4)10-14-8-13(9-17)5-6-15(14)16/h5-6,8,11-12H,7,9-10,17H2,1-4H3
InChIKeyHUBSWWZFWJUGPE-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.15
Rot. Bonds6

About N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine (PubChem CID 55001670) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine
PubChem CID55001670
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)Cc1cc(CN)ccc1F
InChIInChI=1S/C15H25FN2/c1-11(2)7-12(3)18(4)10-14-8-13(9-17)5-6-15(14)16/h5-6,8,11-12H,7,9-10,17H2,1-4H3
InChIKeyHUBSWWZFWJUGPE-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112657864
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 43569716
4-fluoro-3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzonitrile
CID 54942990
4-fluoro-3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzoic acid
CID 63074023
[3-(butan-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 43530003
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
CID 113425969
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine
CID 107455650
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 107454052
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001858
1-[[5-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79382406

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine (CID 55001670) is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine is CC(C)CC(C)N(C)Cc1cc(CN)ccc1F.
What is the InChIKey of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine?
The InChIKey is HUBSWWZFWJUGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-11(2)7-12(3)18(4)10-14-8-13(9-17)5-6-15(14)16/h5-6,8,11-12H,7,9-10,17H2,1-4H3.
What are the key properties of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine?
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine has a molecular weight of 252.38 g/mol, XLogP of 3.15, 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,4-dimethylpentan-2-amine is sourced from PubChem (CID 55001670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).