N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine

C14H16FN3 — CID 55113400

IUPACN-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Cc2ccccc2F)nc1
InChIInChI=1S/C14H16FN3/c1-2-16-8-11-9-17-14(18-10-11)7-12-5-3-4-6-13(12)15/h3-6,9-10,16H,2,7-8H2,1H3
InChIKeyIRVGMXVQCDJQTG-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.32
Rot. Bonds5

About N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine

N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine (PubChem CID 55113400) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
PubChem CID55113400
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Cc2ccccc2F)nc1
InChIInChI=1S/C14H16FN3/c1-2-16-8-11-9-17-14(18-10-11)7-12-5-3-4-6-13(12)15/h3-6,9-10,16H,2,7-8H2,1H3
InChIKeyIRVGMXVQCDJQTG-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62757130
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606
N-[[3,5-difluoro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882490
4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28715737
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 63891334
(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431425
[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine
CID 114206046
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine (CID 55113400) is N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(Cc2ccccc2F)nc1.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is IRVGMXVQCDJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-2-16-8-11-9-17-14(18-10-11)7-12-5-3-4-6-13(12)15/h3-6,9-10,16H,2,7-8H2,1H3.
What are the key properties of N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine?
N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 55113400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).