2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid

C20H22FNO2 — CID 9797701

IUPAC2-[(6-fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC1CCC2=C(C1C3=CC=CC=C3)C=CC(=C2)F)CC(=O)O
InChIInChI=1S/C20H22FNO2/c1-22(13-19(23)24)12-16-8-7-15-11-17(21)9-10-18(15)20(16)14-5-3-2-4-6-14/h2-6,9-11,16,20H,7-8,12-13H2,1H3,(H,23,24)
InChIKeyCEQFUXDSKGOXCZ-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.70
Rot. Bonds5

About 2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid

2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid (PubChem CID 9797701) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-[(6-fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid
PubChem CID9797701
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name2-[(6-fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC1CCC2=C(C1C3=CC=CC=C3)C=CC(=C2)F)CC(=O)O
InChIInChI=1S/C20H22FNO2/c1-22(13-19(23)24)12-16-8-7-15-11-17(21)9-10-18(15)20(16)14-5-3-2-4-6-14/h2-6,9-11,16,20H,7-8,12-13H2,1H3,(H,23,24)
InChIKeyCEQFUXDSKGOXCZ-UHFFFAOYSA-N
XLogP1.70
TPSA40.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity424

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid with MolForge

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Related Compounds

Lithium 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate
CID 44303910
2-Naphthaleneethanamine, 1,2-dihydro-N,N-dimethyl-4-(2-fluorophenyl)-, (Z)-2-butenedioate (1:1)
CID 6448187
2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid
CID 44473508
2-[4-[2-[2-(Trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid
CID 75371976
2-[[10-[[2-Hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol
CID 1136072
2-[[1-(4-Fluorophenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid
CID 9865821
2-[[(Z)-3-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
CID 9925336
2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
CID 10155727
2-[[(E)-3-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
CID 10270203
2-[3-[5-Fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid
CID 11588520
Ethyl 2-[(6-fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetate
CID 17874327
Ethyl 2-[[1-(4-fluorophenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetate
CID 18477075

Frequently Asked Questions

What is the IUPAC name of 2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid (CID 9797701) is 2-[(6-fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid is CN(CC1CCC2=C(C1C3=CC=CC=C3)C=CC(=C2)F)CC(=O)O.
What is the InChIKey of 2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid?
The InChIKey is CEQFUXDSKGOXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-22(13-19(23)24)12-16-8-7-15-11-17(21)9-10-18(15)20(16)14-5-3-2-4-6-14/h2-6,9-11,16,20H,7-8,12-13H2,1H3,(H,23,24).
What are the key properties of 2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid?
2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid has a molecular weight of 327.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 9797701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).