N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine

C16H18F3NO — CID 43505572

IUPACN-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(OCC(F)(F)F)ccc2ccccc12
InChIInChI=1S/C16H18F3NO/c1-11(2)20-9-14-13-6-4-3-5-12(13)7-8-15(14)21-10-16(17,18)19/h3-8,11,20H,9-10H2,1-2H3
InChIKeyYLMHKDSFFIKPPN-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.28
Rot. Bonds5

About N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine

N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine (PubChem CID 43505572) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine
PubChem CID43505572
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(OCC(F)(F)F)ccc2ccccc12
InChIInChI=1S/C16H18F3NO/c1-11(2)20-9-14-13-6-4-3-5-12(13)7-8-15(14)21-10-16(17,18)19/h3-8,11,20H,9-10H2,1-2H3
InChIKeyYLMHKDSFFIKPPN-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 43505685
N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine
CID 60888087
N,N'-bis[2-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]butane-1,4-diamine
CID 44531144
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446
2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053675
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine
CID 94074371

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine (CID 43505572) is N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine is CC(C)NCc1c(OCC(F)(F)F)ccc2ccccc12.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine?
The InChIKey is YLMHKDSFFIKPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-11(2)20-9-14-13-6-4-3-5-12(13)7-8-15(14)21-10-16(17,18)19/h3-8,11,20H,9-10H2,1-2H3.
What are the key properties of N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine?
N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine has a molecular weight of 297.32 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine is sourced from PubChem (CID 43505572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).