4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline

C30H38N2O3 — CID 10719321

IUPAC4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline
SMILESCc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN(C)CCOc1ccc(N)cc1)O2
InChIInChI=1S/C30H38N2O3/c1-21-22(2)29-27(23(3)28(21)34-19-24-9-7-6-8-10-24)15-16-30(4,35-29)20-32(5)17-18-33-26-13-11-25(31)12-14-26/h6-14H,15-20,31H2,1-5H3
InChIKeyNMBUVUUVAMKOFD-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.87
Rot. Bonds9

About 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline

4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline (PubChem CID 10719321) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline
PubChem CID10719321
Molecular FormulaC30H38N2O3
Molecular Weight474.65 g/mol
Exact Mass474.29
IUPAC Name4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline
SMILESCc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN(C)CCOc1ccc(N)cc1)O2
InChIInChI=1S/C30H38N2O3/c1-21-22(2)29-27(23(3)28(21)34-19-24-9-7-6-8-10-24)15-16-30(4,35-29)20-32(5)17-18-33-26-13-11-25(31)12-14-26/h6-14H,15-20,31H2,1-5H3
InChIKeyNMBUVUUVAMKOFD-UHFFFAOYSA-N
XLogP5.87
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline with MolForge

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Related Compounds

(5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10627181
2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene
CID 14210609
2-[(2S)-2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl]ethyl 4-methylbenzenesulfonate
CID 11225673
methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate
CID 10570125
(2R)-2,5,7,8-tetramethyl-6-phenylmethoxy-2-(3,7,11-trimethyldodecoxymethyl)-3,4-dihydrochromene
CID 71540904
[2,5,7,8-tetramethyl-2-[[4-[methyl-(2-phenylacetyl)amino]phenoxy]methyl]-3,4-dihydrochromen-6-yl] acetate
CID 139881949
4-phenylmethoxyaniline
CID 159966727
(2S)-2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-chromene
CID 70422364
methyl 3,7,11-trimethyl-2-[2-(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)acetyl]dodec-4-enoate
CID 54165913
methyl 2-[1-hydroxy-2-(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)ethyl]-3,7,11-trimethyldodeca-4,10-dienoate
CID 54549384
3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanal
CID 19877353
[2-[[4-(benzylsulfonylamino)phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate
CID 139881971

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline?
The IUPAC name of 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline (CID 10719321) is 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline.
What is the SMILES notation for 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline?
The canonical SMILES for 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline is Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN(C)CCOc1ccc(N)cc1)O2.
What is the InChIKey of 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline?
The InChIKey is NMBUVUUVAMKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O3/c1-21-22(2)29-27(23(3)28(21)34-19-24-9-7-6-8-10-24)15-16-30(4,35-29)20-32(5)17-18-33-26-13-11-25(31)12-14-26/h6-14H,15-20,31H2,1-5H3.
What are the key properties of 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline?
4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline has a molecular weight of 474.65 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]aniline is sourced from PubChem (CID 10719321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).