2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine

C13H13ClFN3 — CID 82807421

IUPAC2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine
SMILESNCCc1ccnc(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H13ClFN3/c14-11-3-1-2-9(13(11)15)8-12-17-7-5-10(18-12)4-6-16/h1-3,5,7H,4,6,8,16H2
InChIKeyGRACZJHUSCITFO-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.36
Rot. Bonds4

About 2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine

2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine (PubChem CID 82807421) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine
PubChem CID82807421
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine
SMILESNCCc1ccnc(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H13ClFN3/c14-11-3-1-2-9(13(11)15)8-12-17-7-5-10(18-12)4-6-16/h1-3,5,7H,4,6,8,16H2
InChIKeyGRACZJHUSCITFO-UHFFFAOYSA-N
XLogP2.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 82806848
N-[[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 82805536
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 82806244
5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
CID 82803143
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine
CID 82807355
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82806898
2-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 102858574
[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine
CID 62830563
2-[(3-chloro-2-fluorophenyl)methyl]-4-(difluoromethyl)pyrimidine-5-carboxylic acid
CID 82790349
1-[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 82787634
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431246

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine (CID 82807421) is 2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine is NCCc1ccnc(Cc2cccc(Cl)c2F)n1.
What is the InChIKey of 2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine?
The InChIKey is GRACZJHUSCITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c14-11-3-1-2-9(13(11)15)8-12-17-7-5-10(18-12)4-6-16/h1-3,5,7H,4,6,8,16H2.
What are the key properties of 2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine?
2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine has a molecular weight of 265.72 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 82807421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).