[(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine

C16H17NO — CID 165409099

IUPAC[(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESNC[C@H]1CCOc2c(-c3ccccc3)cccc21
InChIInChI=1S/C16H17NO/c17-11-13-9-10-18-16-14(7-4-8-15(13)16)12-5-2-1-3-6-12/h1-8,13H,9-11,17H2/t13-/m1/s1
InChIKeyLBNITEMTIWCUMN-CYBMUJFWSA-N
MW239.32 g/mol
LogP3.18
Rot. Bonds2

About [(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine

[(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine (PubChem CID 165409099) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is [(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine.

Molecular Properties

Compound Name[(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine
PubChem CID165409099
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name[(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESNC[C@H]1CCOc2c(-c3ccccc3)cccc21
InChIInChI=1S/C16H17NO/c17-11-13-9-10-18-16-14(7-4-8-15(13)16)12-5-2-1-3-6-12/h1-8,13H,9-11,17H2/t13-/m1/s1
InChIKeyLBNITEMTIWCUMN-CYBMUJFWSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine?
The IUPAC name of [(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine (CID 165409099) is [(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine.
What is the SMILES notation for [(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine?
The canonical SMILES for [(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine is NC[C@H]1CCOc2c(-c3ccccc3)cccc21.
What is the InChIKey of [(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine?
The InChIKey is LBNITEMTIWCUMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO/c17-11-13-9-10-18-16-14(7-4-8-15(13)16)12-5-2-1-3-6-12/h1-8,13H,9-11,17H2/t13-/m1/s1.
What are the key properties of [(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine?
[(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine is sourced from PubChem (CID 165409099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).