3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine

C14H15F3N2 — CID 61214265

IUPAC3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine
SMILESCN(Cc1cc2ccccc2cc1N)CC(F)(F)F
InChIInChI=1S/C14H15F3N2/c1-19(9-14(15,16)17)8-12-6-10-4-2-3-5-11(10)7-13(12)18/h2-7H,8-9,18H2,1H3
InChIKeyRLNUAAMUNOXDCD-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.42
Rot. Bonds3

About 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine

3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine (PubChem CID 61214265) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine
PubChem CID61214265
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine
SMILESCN(Cc1cc2ccccc2cc1N)CC(F)(F)F
InChIInChI=1S/C14H15F3N2/c1-19(9-14(15,16)17)8-12-6-10-4-2-3-5-11(10)7-13(12)18/h2-7H,8-9,18H2,1H3
InChIKeyRLNUAAMUNOXDCD-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine?
The IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine (CID 61214265) is 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine?
The canonical SMILES for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine is CN(Cc1cc2ccccc2cc1N)CC(F)(F)F.
What is the InChIKey of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine?
The InChIKey is RLNUAAMUNOXDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-19(9-14(15,16)17)8-12-6-10-4-2-3-5-11(10)7-13(12)18/h2-7H,8-9,18H2,1H3.
What are the key properties of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine?
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine has a molecular weight of 268.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine is sourced from PubChem (CID 61214265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).