[2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine

C16H17NO — CID 174841266

IUPAC[2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine
SMILESNCc1ccccc1-c1ccc2c(c1)CCOC2
InChIInChI=1S/C16H17NO/c17-10-14-3-1-2-4-16(14)13-5-6-15-11-18-8-7-12(15)9-13/h1-6,9H,7-8,10-11,17H2
InChIKeyAEGYBSVRNACIPA-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.88
Rot. Bonds2

About [2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine

[2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine (PubChem CID 174841266) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is [2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine
PubChem CID174841266
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name[2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine
SMILESNCc1ccccc1-c1ccc2c(c1)CCOC2
InChIInChI=1S/C16H17NO/c17-10-14-3-1-2-4-16(14)13-5-6-15-11-18-8-7-12(15)9-13/h1-6,9H,7-8,10-11,17H2
InChIKeyAEGYBSVRNACIPA-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine?
The IUPAC name of [2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine (CID 174841266) is [2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine?
The canonical SMILES for [2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine is NCc1ccccc1-c1ccc2c(c1)CCOC2.
What is the InChIKey of [2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine?
The InChIKey is AEGYBSVRNACIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c17-10-14-3-1-2-4-16(14)13-5-6-15-11-18-8-7-12(15)9-13/h1-6,9H,7-8,10-11,17H2.
What are the key properties of [2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine?
[2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine is sourced from PubChem (CID 174841266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).