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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Related Compounds

CID 449685
CID 449685
CID 24858429
CID 24858429
CID 21168
CID 21168
CID 165122744
CID 165122744
CID 98616
CID 98616
CID 12499287
CID 12499287
CID 44568534
CID 44568534
CID 21167
CID 21167
CID 44408582
CID 44408582
CID 172171848
CID 172171848
CID 10375851
CID 10375851
CID 10398225
CID 10398225

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).