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

C16H25NO2 — CID 103032406

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCOc2ccccc21
InChIInChI=1S/C16H25NO2/c1-16(2,18-3)10-8-14(17)12-9-11-19-15-7-5-4-6-13(12)15/h4-7,12,14H,8-11,17H2,1-3H3
InChIKeyWMYMWBOAIGPCMD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds5

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

1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103032406) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103032406
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCOc2ccccc21
InChIInChI=1S/C16H25NO2/c1-16(2,18-3)10-8-14(17)12-9-11-19-15-7-5-4-6-13(12)15/h4-7,12,14H,8-11,17H2,1-3H3
InChIKeyWMYMWBOAIGPCMD-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
CID 107893468
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530339
2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65412417
[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine
CID 105233846
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
[1-(3,4-dihydro-2H-chromen-4-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105233876
4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 103031750
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168
[1-(3,4-dihydro-2H-chromen-4-yl)-2-ethylbutyl]hydrazine
CID 105233719
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65410661

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine (CID 103032406) is 1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is WMYMWBOAIGPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,18-3)10-8-14(17)12-9-11-19-15-7-5-4-6-13(12)15/h4-7,12,14H,8-11,17H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.09, 5 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-4-yl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103032406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).