3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline

C26H30FN3O2 — CID 142306774

IUPAC3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(O)cc(N)c1CCC(N)=O.Fc1ccccc1Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H16FN.C10H14N2O2/c17-15-6-2-1-4-13(15)10-12-7-8-16-14(11-12)5-3-9-18-16;1-6-4-7(13)5-9(11)8(6)2-3-10(12)14/h1-2,4,6-8,11,18H,3,5,9-10H2;4-5,13H,2-3,11H2,1H3,(H2,12,14)
InChIKeyFSMJVSNQPXOABX-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.48
Rot. Bonds5

About 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline

3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 142306774) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID142306774
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(O)cc(N)c1CCC(N)=O.Fc1ccccc1Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H16FN.C10H14N2O2/c17-15-6-2-1-4-13(15)10-12-7-8-16-14(11-12)5-3-9-18-16;1-6-4-7(13)5-9(11)8(6)2-3-10(12)14/h1-2,4,6-8,11,18H,3,5,9-10H2;4-5,13H,2-3,11H2,1H3,(H2,12,14)
InChIKeyFSMJVSNQPXOABX-UHFFFAOYSA-N
XLogP4.48
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

6-benzyl-8-tert-butyl-1,2,3,4-tetrahydroquinoline;3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 142306829
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 114935348
4-[(2-fluorophenyl)methyl]-2-methylaniline
CID 134448573
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-6-yl)methanamine
CID 61411757
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554328
6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968458
5-[[2-(chloromethyl)phenyl]methyl]-2,3-dihydro-1H-indole
CID 67963438
2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257747
2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554454
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
(2S,5S,6R)-2-[4-fluoro-3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)phenyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-one
CID 145042148

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 142306774) is 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline is Cc1cc(O)cc(N)c1CCC(N)=O.Fc1ccccc1Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is FSMJVSNQPXOABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN.C10H14N2O2/c17-15-6-2-1-4-13(15)10-12-7-8-16-14(11-12)5-3-9-18-16;1-6-4-7(13)5-9(11)8(6)2-3-10(12)14/h1-2,4,6-8,11,18H,3,5,9-10H2;4-5,13H,2-3,11H2,1H3,(H2,12,14).
What are the key properties of 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 435.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide;6-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142306774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).