1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine

C15H23NO — CID 105170411

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)C1OCCc2ccccc21
InChIInChI=1S/C15H23NO/c1-4-11(2)14(16-3)15-13-8-6-5-7-12(13)9-10-17-15/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyFHBRFUFZXLLGTL-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.93
Rot. Bonds4

About 1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine

1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine (PubChem CID 105170411) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine
PubChem CID105170411
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)C1OCCc2ccccc21
InChIInChI=1S/C15H23NO/c1-4-11(2)14(16-3)15-13-8-6-5-7-12(13)9-10-17-15/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyFHBRFUFZXLLGTL-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
CID 12536020
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
CID 105083589
1-(3,4-dihydro-1H-isochromen-1-yl)-N,3-dimethylbut-3-en-1-amine
CID 105162904
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094435
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
CID 114984660
1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine
CID 105165027
[1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine
CID 105321323
(2S)-2-(3,4-dihydro-1H-isochromene-1-carbonylamino)-3-methylpentanoic acid
CID 61172590
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylpentyl]hydrazine
CID 105294298
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine
CID 116715381

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine (CID 105170411) is 1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is FHBRFUFZXLLGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-11(2)14(16-3)15-13-8-6-5-7-12(13)9-10-17-15/h5-8,11,14-16H,4,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine?
1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 105170411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).