N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline

C20H23NO — CID 56925767

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc3c(c2)C=CC(C)(C)O3)c(C)c1
InChIInChI=1S/C20H23NO/c1-14-5-7-18(15(2)11-14)21-13-16-6-8-19-17(12-16)9-10-20(3,4)22-19/h5-12,21H,13H2,1-4H3
InChIKeyMSDMWJXAZFIVSX-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.10
Rot. Bonds3

About N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline

N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline (PubChem CID 56925767) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline
PubChem CID56925767
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc3c(c2)C=CC(C)(C)O3)c(C)c1
InChIInChI=1S/C20H23NO/c1-14-5-7-18(15(2)11-14)21-13-16-6-8-19-17(12-16)9-10-20(3,4)22-19/h5-12,21H,13H2,1-4H3
InChIKeyMSDMWJXAZFIVSX-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline (CID 56925767) is N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline is Cc1ccc(NCc2ccc3c(c2)C=CC(C)(C)O3)c(C)c1.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline?
The InChIKey is MSDMWJXAZFIVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-14-5-7-18(15(2)11-14)21-13-16-6-8-19-17(12-16)9-10-20(3,4)22-19/h5-12,21H,13H2,1-4H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline?
N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline has a molecular weight of 293.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 56925767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).