6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine

C22H23NO2 — CID 5146613

IUPAC6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
SMILESCc1ccc(-c2c/c(=N\CC3CCCO3)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C22H23NO2/c1-15-5-8-17(9-6-15)22-13-20(23-14-18-4-3-11-24-18)19-12-16(2)7-10-21(19)25-22/h5-10,12-13,18H,3-4,11,14H2,1-2H3/b23-20+
InChIKeyOHCCPYXQAKBGHH-BSYVCWPDSA-N
MW333.43 g/mol
LogP4.80
Rot. Bonds3

About 6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine

6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine (PubChem CID 5146613) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
PubChem CID5146613
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
SMILESCc1ccc(-c2c/c(=N\CC3CCCO3)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C22H23NO2/c1-15-5-8-17(9-6-15)22-13-20(23-14-18-4-3-11-24-18)19-12-16(2)7-10-21(19)25-22/h5-10,12-13,18H,3-4,11,14H2,1-2H3/b23-20+
InChIKeyOHCCPYXQAKBGHH-BSYVCWPDSA-N
XLogP4.80
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 4677556
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 20998852
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
CID 20998205
2-[(E)-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 20998170
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445
7,19-bis(4-methylphenyl)-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58410888
1-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]pyrrolidin-1-ium perchlorate
CID 20998154
4-methyl-2-(oxan-2-ylmethylamino)benzonitrile
CID 62307968
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine (CID 5146613) is 6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine is Cc1ccc(-c2c/c(=N\CC3CCCO3)c3cc(C)ccc3o2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine?
The InChIKey is OHCCPYXQAKBGHH-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H23NO2/c1-15-5-8-17(9-6-15)22-13-20(23-14-18-4-3-11-24-18)19-12-16(2)7-10-21(19)25-22/h5-10,12-13,18H,3-4,11,14H2,1-2H3/b23-20+.
What are the key properties of 6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine?
6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine has a molecular weight of 333.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine is sourced from PubChem (CID 5146613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).