(1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid

C18H18FNO3 — CID 166274188

IUPAC(1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCOc1ccc(CN[C@H]2c3ccccc3C[C@H]2C(=O)O)cc1F
InChIInChI=1S/C18H18FNO3/c1-23-16-7-6-11(8-15(16)19)10-20-17-13-5-3-2-4-12(13)9-14(17)18(21)22/h2-8,14,17,20H,9-10H2,1H3,(H,21,22)/t14-,17+/m1/s1
InChIKeyHCFFKPZVMNSVLT-PBHICJAKSA-N
MW315.34 g/mol
LogP2.92
Rot. Bonds5

About (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid

(1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 166274188) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID166274188
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCOc1ccc(CN[C@H]2c3ccccc3C[C@H]2C(=O)O)cc1F
InChIInChI=1S/C18H18FNO3/c1-23-16-7-6-11(8-15(16)19)10-20-17-13-5-3-2-4-12(13)9-14(17)18(21)22/h2-8,14,17,20H,9-10H2,1H3,(H,21,22)/t14-,17+/m1/s1
InChIKeyHCFFKPZVMNSVLT-PBHICJAKSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid with MolForge

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094
2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975161
(3R,4S)-1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133115029
1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 141433164
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 140974945
(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47814882
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid (CID 166274188) is (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid is COc1ccc(CN[C@H]2c3ccccc3C[C@H]2C(=O)O)cc1F.
What is the InChIKey of (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is HCFFKPZVMNSVLT-PBHICJAKSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-23-16-7-6-11(8-15(16)19)10-20-17-13-5-3-2-4-12(13)9-14(17)18(21)22/h2-8,14,17,20H,9-10H2,1H3,(H,21,22)/t14-,17+/m1/s1.
What are the key properties of (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid?
(1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 315.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 166274188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).