1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine

C22H29NO2 — CID 20570554

IUPAC1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine
SMILESCC(COc1ccc2c(c1)OC(C)(C)CC2c1ccccc1)N(C)C
InChIInChI=1S/C22H29NO2/c1-16(23(4)5)15-24-18-11-12-19-20(17-9-7-6-8-10-17)14-22(2,3)25-21(19)13-18/h6-13,16,20H,14-15H2,1-5H3
InChIKeyJNVMSXFSCPRIFE-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.71
Rot. Bonds5

About 1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine

1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine (PubChem CID 20570554) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine
PubChem CID20570554
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine
SMILESCC(COc1ccc2c(c1)OC(C)(C)CC2c1ccccc1)N(C)C
InChIInChI=1S/C22H29NO2/c1-16(23(4)5)15-24-18-11-12-19-20(17-9-7-6-8-10-17)14-22(2,3)25-21(19)13-18/h6-13,16,20H,14-15H2,1-5H3
InChIKeyJNVMSXFSCPRIFE-UHFFFAOYSA-N
XLogP4.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-3-(methylamino)propan-2-ol;hydrochloride
CID 3046431
3-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)oxy]propane-1,2-diol
CID 82849942
N,N-dimethyl-1-naphthalen-2-yloxypropan-2-amine
CID 4189894
N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine
CID 82462320
7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 62311714
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 65365060
7-but-2-ynoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 62312344
3-[(2S)-2-(dimethylamino)propoxy]aniline
CID 169112356
7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 62390031
2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine
CID 64553531
2-[[4-(benzenesulfonamidomethyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]oxy]acetic acid
CID 19840576

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine (CID 20570554) is 1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine is CC(COc1ccc2c(c1)OC(C)(C)CC2c1ccccc1)N(C)C.
What is the InChIKey of 1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine?
The InChIKey is JNVMSXFSCPRIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-16(23(4)5)15-24-18-11-12-19-20(17-9-7-6-8-10-17)14-22(2,3)25-21(19)13-18/h6-13,16,20H,14-15H2,1-5H3.
What are the key properties of 1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine?
1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine has a molecular weight of 339.48 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 20570554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).