N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine

C14H21NO — CID 59487285

IUPACN-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc2c1CCOC2
InChIInChI=1S/C14H21NO/c1-14(2,3)15-9-11-5-4-6-12-10-16-8-7-13(11)12/h4-6,15H,7-10H2,1-3H3
InChIKeyZLZRTFKVJQBUML-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.65
Rot. Bonds2

About N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine

N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine (PubChem CID 59487285) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine
PubChem CID59487285
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc2c1CCOC2
InChIInChI=1S/C14H21NO/c1-14(2,3)15-9-11-5-4-6-12-10-16-8-7-13(11)12/h4-6,15H,7-10H2,1-3H3
InChIKeyZLZRTFKVJQBUML-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine (CID 59487285) is N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine is CC(C)(C)NCc1cccc2c1CCOC2.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine?
The InChIKey is ZLZRTFKVJQBUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)15-9-11-5-4-6-12-10-16-8-7-13(11)12/h4-6,15H,7-10H2,1-3H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine?
N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 59487285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).