N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine

C14H14F3N3 — CID 62789684

IUPACN-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)c1ncccn1
InChIInChI=1S/C14H14F3N3/c1-2-18-12(13-19-7-4-8-20-13)10-5-3-6-11(9-10)14(15,16)17/h3-9,12,18H,2H2,1H3
InChIKeyDVYKMQMXKFJZHN-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.19
Rot. Bonds4

About N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine

N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 62789684) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID62789684
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)c1ncccn1
InChIInChI=1S/C14H14F3N3/c1-2-18-12(13-19-7-4-8-20-13)10-5-3-6-11(9-10)14(15,16)17/h3-9,12,18H,2H2,1H3
InChIKeyDVYKMQMXKFJZHN-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103444525
N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 62548191
N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62346589
N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43488227
N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 107128679
N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62789882
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789996
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 64535416
N-ethyl-2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115850631

Frequently Asked Questions

What is the IUPAC name of N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 62789684) is N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1cccc(C(F)(F)F)c1)c1ncccn1.
What is the InChIKey of N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is DVYKMQMXKFJZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-2-18-12(13-19-7-4-8-20-13)10-5-3-6-11(9-10)14(15,16)17/h3-9,12,18H,2H2,1H3.
What are the key properties of N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62789684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).