3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine

C15H23NO2 — CID 170865622

IUPAC3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine
SMILESCOc1cc2c(cc1CCCN(C)C)OCCC2
InChIInChI=1S/C15H23NO2/c1-16(2)8-4-6-12-11-15-13(7-5-9-18-15)10-14(12)17-3/h10-11H,4-9H2,1-3H3
InChIKeyQKPXALVUNLLEIQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.51
Rot. Bonds5

About 3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine

3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170865622) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine
PubChem CID170865622
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine
SMILESCOc1cc2c(cc1CCCN(C)C)OCCC2
InChIInChI=1S/C15H23NO2/c1-16(2)8-4-6-12-11-15-13(7-5-9-18-15)10-14(12)17-3/h10-11H,4-9H2,1-3H3
InChIKeyQKPXALVUNLLEIQ-UHFFFAOYSA-N
XLogP2.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methoxy-3,4-dihydro-2H-chromen-7-yl)methanol
CID 10241724
1-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)propan-2-amine
CID 69408234
3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170865623
N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine
CID 82606137
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine
CID 170863940
3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine
CID 170866549
2-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)-N-methylethanamine
CID 115259053
4-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865239
2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
CID 117300099
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine (CID 170865622) is 3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine is COc1cc2c(cc1CCCN(C)C)OCCC2.
What is the InChIKey of 3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is QKPXALVUNLLEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16(2)8-4-6-12-11-15-13(7-5-9-18-15)10-14(12)17-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine?
3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).