3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine

C15H16F3N — CID 60696710

IUPAC3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
SMILESCC(NCCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C15H16F3N/c1-11(19-9-8-15(16,17)18)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10-11,19H,8-9H2,1H3
InChIKeyPWPRDJLCRWWFDQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP4.44
Rot. Bonds4

About 3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine

3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine (PubChem CID 60696710) has the molecular formula C15H16F3N and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
PubChem CID60696710
Molecular FormulaC15H16F3N
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
SMILESCC(NCCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C15H16F3N/c1-11(19-9-8-15(16,17)18)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10-11,19H,8-9H2,1H3
InChIKeyPWPRDJLCRWWFDQ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
N-[1-(3,5-dimethylphenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81343670
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
CID 43208132
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol
CID 107706521
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine
CID 83142738
2-(1-naphthalen-2-ylethylamino)ethylurea
CID 83111282
N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine
CID 113341996
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 63226050

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine (CID 60696710) is 3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine is CC(NCCC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine?
The InChIKey is PWPRDJLCRWWFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N/c1-11(19-9-8-15(16,17)18)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine?
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine has a molecular weight of 267.29 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 60696710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).