anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine

C41H71NO3 — CID 161119210

IUPACanisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine
SMILESCC.CC.CC.CC.CC.CN/C=C\c1ccccc1.COc1c(C)c(C)c2c(c1C)CCC(C)(C)O2.COc1ccccc1
InChIInChI=1S/C15H22O2.C9H11N.C7H8O.5C2H6/c1-9-10(2)14-12(11(3)13(9)16-6)7-8-15(4,5)17-14;1-10-8-7-9-5-3-2-4-6-9;1-8-7-5-3-2-4-6-7;5*1-2/h7-8H2,1-6H3;2-8,10H,1H3;2-6H,1H3;5*1-2H3/b;8-7-;;;;;;
InChIKeyUKSNBBUSNZBVIE-JNRWVPLZSA-N
MW626.02 g/mol
LogP12.43
Rot. Bonds4

About anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine

anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine (PubChem CID 161119210) has the molecular formula C41H71NO3 and a molecular weight of 626.02 g/mol. Its IUPAC name is anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine.

Molecular Properties

Compound Nameanisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine
PubChem CID161119210
Molecular FormulaC41H71NO3
Molecular Weight626.02 g/mol
Exact Mass625.54
IUPAC Nameanisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine
SMILESCC.CC.CC.CC.CC.CN/C=C\c1ccccc1.COc1c(C)c(C)c2c(c1C)CCC(C)(C)O2.COc1ccccc1
InChIInChI=1S/C15H22O2.C9H11N.C7H8O.5C2H6/c1-9-10(2)14-12(11(3)13(9)16-6)7-8-15(4,5)17-14;1-10-8-7-9-5-3-2-4-6-9;1-8-7-5-3-2-4-6-7;5*1-2/h7-8H2,1-6H3;2-8,10H,1H3;2-6H,1H3;5*1-2H3/b;8-7-;;;;;;
InChIKeyUKSNBBUSNZBVIE-JNRWVPLZSA-N
XLogP12.43
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.02
LogP ≤ 512.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine with MolForge

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Related Compounds

anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene
CID 159203763
(2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene
CID 14478580
N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 19078609
[5-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1,2-oxazol-3-yl]-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate
CID 12991922
methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate
CID 10570125
3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanal
CID 19877353
3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol
CID 627589
2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene
CID 14210609
(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
CID 146823201
ethyl [2,5,7,8-tetramethyl-2-(phenylcarbamoyl)-3,4-dihydrochromen-6-yl] carbonate
CID 19024073
2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol
CID 101193353
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217

Frequently Asked Questions

What is the IUPAC name of anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine?
The IUPAC name of anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine (CID 161119210) is anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine.
What is the SMILES notation for anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine?
The canonical SMILES for anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine is CC.CC.CC.CC.CC.CN/C=C\c1ccccc1.COc1c(C)c(C)c2c(c1C)CCC(C)(C)O2.COc1ccccc1.
What is the InChIKey of anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine?
The InChIKey is UKSNBBUSNZBVIE-JNRWVPLZSA-N. The full InChI is InChI=1S/C15H22O2.C9H11N.C7H8O.5C2H6/c1-9-10(2)14-12(11(3)13(9)16-6)7-8-15(4,5)17-14;1-10-8-7-9-5-3-2-4-6-9;1-8-7-5-3-2-4-6-7;5*1-2/h7-8H2,1-6H3;2-8,10H,1H3;2-6H,1H3;5*1-2H3/b;8-7-;;;;;;.
What are the key properties of anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine?
anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine has a molecular weight of 626.02 g/mol, XLogP of 12.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine is sourced from PubChem (CID 161119210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).