(1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid

C27H28FNO5 — CID 67089076

IUPAC(1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
SMILESCOc1ccccc1CN[C@H]1CCc2ccccc2[C@@H]1Cc1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C25H26FNO.C2H2O4/c1-28-25-9-5-3-7-20(25)17-27-24-15-12-19-6-2-4-8-22(19)23(24)16-18-10-13-21(26)14-11-18;3-1(4)2(5)6/h2-11,13-14,23-24,27H,12,15-17H2,1H3;(H,3,4)(H,5,6)/t23-,24-;/m0./s1
InChIKeyFZFTYYMJMNUVQX-UKOKCHKQSA-N
MW465.52 g/mol
LogP4.42
Rot. Bonds6

About (1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid

(1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid (PubChem CID 67089076) has the molecular formula C27H28FNO5 and a molecular weight of 465.52 g/mol. Its IUPAC name is (1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid.

Molecular Properties

Compound Name(1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
PubChem CID67089076
Molecular FormulaC27H28FNO5
Molecular Weight465.52 g/mol
Exact Mass465.20
IUPAC Name(1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
SMILESCOc1ccccc1CN[C@H]1CCc2ccccc2[C@@H]1Cc1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C25H26FNO.C2H2O4/c1-28-25-9-5-3-7-20(25)17-27-24-15-12-19-6-2-4-8-22(19)23(24)16-18-10-13-21(26)14-11-18;3-1(4)2(5)6/h2-11,13-14,23-24,27H,12,15-17H2,1H3;(H,3,4)(H,5,6)/t23-,24-;/m0./s1
InChIKeyFZFTYYMJMNUVQX-UKOKCHKQSA-N
XLogP4.42
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
CID 67089068
(1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67089292
1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
CID 21251715
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid
CID 163327820
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8872618
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid?
The IUPAC name of (1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid (CID 67089076) is (1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid.
What is the SMILES notation for (1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid?
The canonical SMILES for (1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid is COc1ccccc1CN[C@H]1CCc2ccccc2[C@@H]1Cc1ccc(F)cc1.O=C(O)C(=O)O.
What is the InChIKey of (1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid?
The InChIKey is FZFTYYMJMNUVQX-UKOKCHKQSA-N. The full InChI is InChI=1S/C25H26FNO.C2H2O4/c1-28-25-9-5-3-7-20(25)17-27-24-15-12-19-6-2-4-8-22(19)23(24)16-18-10-13-21(26)14-11-18;3-1(4)2(5)6/h2-11,13-14,23-24,27H,12,15-17H2,1H3;(H,3,4)(H,5,6)/t23-,24-;/m0./s1.
What are the key properties of (1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid?
(1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid has a molecular weight of 465.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid is sourced from PubChem (CID 67089076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).