6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

C18H25NO — CID 123180259

IUPAC6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CC(=Cc2ccc3c(c2)NCC(C)O3)CC(C)C1
InChIInChI=1S/C18H25NO/c1-12-6-13(2)8-16(7-12)9-15-4-5-18-17(10-15)19-11-14(3)20-18/h4-5,9-10,12-14,19H,6-8,11H2,1-3H3
InChIKeyIGNGMWTVWAJGBM-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.72
Rot. Bonds1

About 6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 123180259) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID123180259
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CC(=Cc2ccc3c(c2)NCC(C)O3)CC(C)C1
InChIInChI=1S/C18H25NO/c1-12-6-13(2)8-16(7-12)9-15-4-5-18-17(10-15)19-11-14(3)20-18/h4-5,9-10,12-14,19H,6-8,11H2,1-3H3
InChIKeyIGNGMWTVWAJGBM-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-6-[[(5R)-3,5-dimethylcyclohexylidene]methyl]-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 144958559
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid
CID 167718558
6-(3-bromo-4-methylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817481
2-methyl-6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 80503022
N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 82059310
2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229720
2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817465
2-methyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82098710
6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817485
2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 69369715
7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 90244467

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 123180259) is 6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is CC1CC(=Cc2ccc3c(c2)NCC(C)O3)CC(C)C1.
What is the InChIKey of 6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is IGNGMWTVWAJGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-12-6-13(2)8-16(7-12)9-15-4-5-18-17(10-15)19-11-14(3)20-18/h4-5,9-10,12-14,19H,6-8,11H2,1-3H3.
What are the key properties of 6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 271.40 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 123180259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).