N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine

C14H19F3N2O — CID 43610591

IUPACN-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine
SMILESCN(c1ccc(C(F)(F)F)cc1CN)C1CCOCC1
InChIInChI=1S/C14H19F3N2O/c1-19(12-4-6-20-7-5-12)13-3-2-11(14(15,16)17)8-10(13)9-18/h2-3,8,12H,4-7,9,18H2,1H3
InChIKeyDVQCEWIKJOFFPL-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.78
Rot. Bonds3

About N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine

N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine (PubChem CID 43610591) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine
PubChem CID43610591
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine
SMILESCN(c1ccc(C(F)(F)F)cc1CN)C1CCOCC1
InChIInChI=1S/C14H19F3N2O/c1-19(12-4-6-20-7-5-12)13-3-2-11(14(15,16)17)8-10(13)9-18/h2-3,8,12H,4-7,9,18H2,1H3
InChIKeyDVQCEWIKJOFFPL-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine?
The IUPAC name of N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine (CID 43610591) is N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine is CN(c1ccc(C(F)(F)F)cc1CN)C1CCOCC1.
What is the InChIKey of N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine?
The InChIKey is DVQCEWIKJOFFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-19(12-4-6-20-7-5-12)13-3-2-11(14(15,16)17)8-10(13)9-18/h2-3,8,12H,4-7,9,18H2,1H3.
What are the key properties of N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine?
N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine has a molecular weight of 288.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine is sourced from PubChem (CID 43610591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).