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

C20H17ClF3NO2 — CID 44543500

IUPAC1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
SMILESClc1ccccc1CNCc1cccc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C18H16ClN.C2HF3O2/c19-18-11-4-2-7-16(18)13-20-12-15-9-5-8-14-6-1-3-10-17(14)15;3-2(4,5)1(6)7/h1-11,20H,12-13H2;(H,6,7)
InChIKeyQHVWLVDVYMUUQW-UHFFFAOYSA-N
MW395.81 g/mol
LogP5.42
Rot. Bonds4

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

1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 44543500) has the molecular formula C20H17ClF3NO2 and a molecular weight of 395.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID44543500
Molecular FormulaC20H17ClF3NO2
Molecular Weight395.81 g/mol
Exact Mass395.09
IUPAC Name1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
SMILESClc1ccccc1CNCc1cccc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C18H16ClN.C2HF3O2/c19-18-11-4-2-7-16(18)13-20-12-15-9-5-8-14-6-1-3-10-17(14)15;3-2(4,5)1(6)7/h1-11,20H,12-13H2;(H,6,7)
InChIKeyQHVWLVDVYMUUQW-UHFFFAOYSA-N
XLogP5.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.81
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 44543493
1-(3-methylphenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 44543494
N-[(2,5-difluorophenyl)methyl]-1-naphthalen-1-ylmethanamine;2,2,2-trifluoroacetic acid
CID 44543503
Cinacalcet HCl acetic acid solvate
CID 139194752
1-(4-tert-butylphenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 44543487
1-(4-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 44543495
1-(2,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 44543496
1-(3-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 44543498
1-(2,3-difluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 44543505
3-[[2-chloro-5-[(2S)-2-(4-chloro-3-methylphenyl)-3,3,3-trifluoropropyl]phenyl]methylamino]propanoic acid
CID 58374433
3-[[3-[(2S)-2-(4-chloro-3-methylphenyl)-3,3,3-trifluoropropyl]-2,6-dimethylphenyl]methylamino]propanoic acid
CID 58374465
3-[[5-[(2S)-2-(4-chloro-3,5-dimethylphenyl)-3,3,3-trifluoropropyl]-2-methylphenyl]methylamino]propanoic acid
CID 58374481

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid (CID 44543500) is 1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid is Clc1ccccc1CNCc1cccc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is QHVWLVDVYMUUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN.C2HF3O2/c19-18-11-4-2-7-16(18)13-20-12-15-9-5-8-14-6-1-3-10-17(14)15;3-2(4,5)1(6)7/h1-11,20H,12-13H2;(H,6,7).
What are the key properties of 1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 395.81 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44543500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).