2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal

C24H30FNO3 — CID 146609659

IUPAC2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal
SMILESCNCC(C=O)C1CCc2c(C)cc(OCc3ccccc3F)c(C)c2[C@@H]1OC
InChIInChI=1S/C24H30FNO3/c1-15-11-22(29-14-17-7-5-6-8-21(17)25)16(2)23-19(15)9-10-20(24(23)28-4)18(13-27)12-26-3/h5-8,11,13,18,20,24,26H,9-10,12,14H2,1-4H3/t18?,20?,24-/m1/s1
InChIKeyRCUPUZVBTHUMSM-SCPLRKQGSA-N
MW399.51 g/mol
LogP4.31
Rot. Bonds8

About 2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal

2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal (PubChem CID 146609659) has the molecular formula C24H30FNO3 and a molecular weight of 399.51 g/mol. Its IUPAC name is 2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal.

Molecular Properties

Compound Name2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal
PubChem CID146609659
Molecular FormulaC24H30FNO3
Molecular Weight399.51 g/mol
Exact Mass399.22
IUPAC Name2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal
SMILESCNCC(C=O)C1CCc2c(C)cc(OCc3ccccc3F)c(C)c2[C@@H]1OC
InChIInChI=1S/C24H30FNO3/c1-15-11-22(29-14-17-7-5-6-8-21(17)25)16(2)23-19(15)9-10-20(24(23)28-4)18(13-27)12-26-3/h5-8,11,13,18,20,24,26H,9-10,12,14H2,1-4H3/t18?,20?,24-/m1/s1
InChIKeyRCUPUZVBTHUMSM-SCPLRKQGSA-N
XLogP4.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-[1-(dimethylamino)propan-2-yl]-7-[(2-fluorophenyl)methoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl] formate
CID 166998846
2-[(2S)-7-[(2-chlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]prop-2-enal
CID 166999085
[(1R,2S)-7-[(2,4-difluorophenyl)methoxy]-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl] formate
CID 146608759
(3aS,9bR)-8-[(2-bromophenyl)methoxy]-3-(methoxymethyl)-6,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one
CID 137409914
ethyl (2R)-1-[3-[(9bR)-8-[(2-fluorophenyl)methoxy]-6,9-dimethyl-2-oxo-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-3-yl]propyl]pyrrolidine-2-carboxylate
CID 146608854
(3aS)-8-[(2,6-difluorophenyl)methoxy]-6,9-dimethyl-3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2-one
CID 137409936
(3aS)-8-[(2-iodophenyl)methoxy]-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one
CID 137409979
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
4-fluoro-2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 91658405
2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 883669
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
CID 82069752

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal?
The IUPAC name of 2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal (CID 146609659) is 2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal.
What is the SMILES notation for 2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal?
The canonical SMILES for 2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal is CNCC(C=O)C1CCc2c(C)cc(OCc3ccccc3F)c(C)c2[C@@H]1OC.
What is the InChIKey of 2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal?
The InChIKey is RCUPUZVBTHUMSM-SCPLRKQGSA-N. The full InChI is InChI=1S/C24H30FNO3/c1-15-11-22(29-14-17-7-5-6-8-21(17)25)16(2)23-19(15)9-10-20(24(23)28-4)18(13-27)12-26-3/h5-8,11,13,18,20,24,26H,9-10,12,14H2,1-4H3/t18?,20?,24-/m1/s1.
What are the key properties of 2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal?
2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal has a molecular weight of 399.51 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-7-[(2-fluorophenyl)methoxy]-1-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(methylamino)propanal is sourced from PubChem (CID 146609659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).