N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine

C14H14F3N3O — CID 63121097

IUPACN-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNCCOc1cccc(Nc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)12-5-2-7-19-13(12)20-10-3-1-4-11(9-10)21-8-6-18/h1-5,7,9H,6,8,18H2,(H,19,20)
InChIKeyMGMJLUHQPRBYPY-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.18
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine

N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 63121097) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID63121097
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNCCOc1cccc(Nc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)12-5-2-7-19-13(12)20-10-3-1-4-11(9-10)21-8-6-18/h1-5,7,9H,6,8,18H2,(H,19,20)
InChIKeyMGMJLUHQPRBYPY-UHFFFAOYSA-N
XLogP3.18
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449878
N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 55242565
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine
CID 63121028
N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 65029057
3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
N-[3-(2-aminoethoxy)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616720

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine (CID 63121097) is N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine is NCCOc1cccc(Nc2ncccc2C(F)(F)F)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MGMJLUHQPRBYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)12-5-2-7-19-13(12)20-10-3-1-4-11(9-10)21-8-6-18/h1-5,7,9H,6,8,18H2,(H,19,20).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 297.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63121097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).