1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid

C20H16F5NO2 — CID 44543505

IUPAC1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
SMILESFc1cccc(CNCc2cccc3ccccc23)c1F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H15F2N.C2HF3O2/c19-17-10-4-8-15(18(17)20)12-21-11-14-7-3-6-13-5-1-2-9-16(13)14;3-2(4,5)1(6)7/h1-10,21H,11-12H2;(H,6,7)
InChIKeyXNDWELHNBSBLKI-UHFFFAOYSA-N
MW397.34 g/mol
LogP5.04
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid

1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 44543505) has the molecular formula C20H16F5NO2 and a molecular weight of 397.34 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID44543505
Molecular FormulaC20H16F5NO2
Molecular Weight397.34 g/mol
Exact Mass397.11
IUPAC Name1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
SMILESFc1cccc(CNCc2cccc3ccccc23)c1F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H15F2N.C2HF3O2/c19-17-10-4-8-15(18(17)20)12-21-11-14-7-3-6-13-5-1-2-9-16(13)14;3-2(4,5)1(6)7/h1-10,21H,11-12H2;(H,6,7)
InChIKeyXNDWELHNBSBLKI-UHFFFAOYSA-N
XLogP5.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.34
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Biphenyl-2-ylmethyl-(3,5-bis-trifluoromethyl-benzyl)-amine
CID 44408628
N-[[2-[3-(aminomethyl)phenyl]phenyl]methyl]-1-benzylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44534700
1-[1-(cyclohexylmethyl)piperidin-4-yl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44536005
1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536496
Piperidine, 4-(1-naphthalenyl)-, 2,2,2-trifluoroacetate (1:1)
CID 57404445
4-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid
CID 57404446
2-[1-[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]ethylamino]acetic acid
CID 147608106
2-[[3-[2-(2-Methyl-3-phenylphenyl)ethyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 149456471
2-(2-fluorophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 1817775
N-(naphthalen-1-ylmethyl)-4-phenylbutan-2-amine;oxalic acid
CID 23724189
2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid
CID 44473508
N-DESMETHYL-CARBOXYBUTYL TERBINAFINE;N-DESMETHYLCARBOXY TERBINAFINE;2,2-DIMETHYL-7-[(1-NAPHTHALENYLMETHYL)AMINO]-(5E)-5-HEPTEN-3-YNOIC ACID;(5E)-2,2-Dimethyl-7-[(1-naphthalenylmethyl)amino]-5-hepten-3-ynoic Acid
CID 188544

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid (CID 44543505) is 1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid is Fc1cccc(CNCc2cccc3ccccc23)c1F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is XNDWELHNBSBLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N.C2HF3O2/c19-17-10-4-8-15(18(17)20)12-21-11-14-7-3-6-13-5-1-2-9-16(13)14;3-2(4,5)1(6)7/h1-10,21H,11-12H2;(H,6,7).
What are the key properties of 1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 397.34 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44543505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).