N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine

C16H25NO — CID 14141282

IUPACN-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine
SMILESCC(CC1OCCc2ccccc21)NC(C)(C)C
InChIInChI=1S/C16H25NO/c1-12(17-16(2,3)4)11-15-14-8-6-5-7-13(14)9-10-18-15/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyXSSYQZVOTPRAFA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds3

About N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine

N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine (PubChem CID 14141282) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine
PubChem CID14141282
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine
SMILESCC(CC1OCCc2ccccc21)NC(C)(C)C
InChIInChI=1S/C16H25NO/c1-12(17-16(2,3)4)11-15-14-8-6-5-7-13(14)9-10-18-15/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyXSSYQZVOTPRAFA-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(3,4-dihydro-1H-isochromen-1-yl)-2-methylbutan-1-amine
CID 64665007
1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 114984434
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 114985326
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
CID 114984660
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132060
3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093089
1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 114984419
3-cyclopropyl-1-(3,4-dihydro-1H-isochromen-1-yl)butan-2-ol
CID 115809715
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 114984696
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 114983702
2-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol
CID 19889936
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylhexan-2-amine
CID 114983674

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine?
The IUPAC name of N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine (CID 14141282) is N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine is CC(CC1OCCc2ccccc21)NC(C)(C)C.
What is the InChIKey of N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine?
The InChIKey is XSSYQZVOTPRAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(17-16(2,3)4)11-15-14-8-6-5-7-13(14)9-10-18-15/h5-8,12,15,17H,9-11H2,1-4H3.
What are the key properties of N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine?
N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 14141282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).