1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine

C15H23NO2 — CID 114746248

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine
SMILESCCC(C)(OC)C(N)c1cccc2c1OCCC2
InChIInChI=1S/C15H23NO2/c1-4-15(2,17-3)14(16)12-9-5-7-11-8-6-10-18-13(11)12/h5,7,9,14H,4,6,8,10,16H2,1-3H3
InChIKeyURXRJZJMNBYCNO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.83
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine

1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine (PubChem CID 114746248) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine
PubChem CID114746248
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine
SMILESCCC(C)(OC)C(N)c1cccc2c1OCCC2
InChIInChI=1S/C15H23NO2/c1-4-15(2,17-3)14(16)12-9-5-7-11-8-6-10-18-13(11)12/h5,7,9,14H,4,6,8,10,16H2,1-3H3
InChIKeyURXRJZJMNBYCNO-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114746254
1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 114746271
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
[1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxybutyl]hydrazine
CID 105270858
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114745701
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
CID 114745442
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine
CID 105049013
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine
CID 114746243
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine (CID 114746248) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine is CCC(C)(OC)C(N)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine?
The InChIKey is URXRJZJMNBYCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-15(2,17-3)14(16)12-9-5-7-11-8-6-10-18-13(11)12/h5,7,9,14H,4,6,8,10,16H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 114746248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).