N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C14H14F3N3 — CID 66328458

IUPACN-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1cccc(CN)c1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H14F3N3/c1-20(12-4-2-3-10(7-12)9-18)13-8-11(5-6-19-13)14(15,16)17/h2-8H,9,18H2,1H3
InChIKeyDQZJHXXUSRVMLP-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.33
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine

N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66328458) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66328458
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1cccc(CN)c1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H14F3N3/c1-20(12-4-2-3-10(7-12)9-18)13-8-11(5-6-19-13)14(15,16)17/h2-8H,9,18H2,1H3
InChIKeyDQZJHXXUSRVMLP-UHFFFAOYSA-N
XLogP3.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 66328458) is N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CN(c1cccc(CN)c1)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DQZJHXXUSRVMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-20(12-4-2-3-10(7-12)9-18)13-8-11(5-6-19-13)14(15,16)17/h2-8H,9,18H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 281.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66328458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).