3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine

C15H16F3NO — CID 63226555

IUPAC3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
SMILESCOc1ccc2ccccc2c1CNCCC(F)(F)F
InChIInChI=1S/C15H16F3NO/c1-20-14-7-6-11-4-2-3-5-12(11)13(14)10-19-9-8-15(16,17)18/h2-7,19H,8-10H2,1H3
InChIKeyJCACJMHCLMTTRV-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.89
Rot. Bonds5

About 3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine

3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine (PubChem CID 63226555) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
PubChem CID63226555
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
SMILESCOc1ccc2ccccc2c1CNCCC(F)(F)F
InChIInChI=1S/C15H16F3NO/c1-20-14-7-6-11-4-2-3-5-12(11)13(14)10-19-9-8-15(16,17)18/h2-7,19H,8-10H2,1H3
InChIKeyJCACJMHCLMTTRV-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 43215614
(2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine
CID 95130442
2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine
CID 5158918
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584591
1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719701
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
CID 11779359
N-[(2-methoxynaphthalen-1-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 17291658
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
CID 64867903
N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60733120

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine (CID 63226555) is 3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine is COc1ccc2ccccc2c1CNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine?
The InChIKey is JCACJMHCLMTTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-20-14-7-6-11-4-2-3-5-12(11)13(14)10-19-9-8-15(16,17)18/h2-7,19H,8-10H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine has a molecular weight of 283.29 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 63226555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).