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

C17H19NO2 — CID 44587445

IUPAC[(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
SMILESCc1ccccc1O[C@@H]1c2ccccc2OC[C@@H]1CN
InChIInChI=1S/C17H19NO2/c1-12-6-2-4-8-15(12)20-17-13(10-18)11-19-16-9-5-3-7-14(16)17/h2-9,13,17H,10-11,18H2,1H3/t13-,17-/m0/s1
InChIKeyRQRGTZIPGLRQOJ-GUYCJALGSA-N
MW269.34 g/mol
LogP3.08
Rot. Bonds3

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

[(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine (PubChem CID 44587445) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
PubChem CID44587445
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
SMILESCc1ccccc1O[C@@H]1c2ccccc2OC[C@@H]1CN
InChIInChI=1S/C17H19NO2/c1-12-6-2-4-8-15(12)20-17-13(10-18)11-19-16-9-5-3-7-14(16)17/h2-9,13,17H,10-11,18H2,1H3/t13-,17-/m0/s1
InChIKeyRQRGTZIPGLRQOJ-GUYCJALGSA-N
XLogP3.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45483406
4-(2-(Benzyloxy)phenyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The IUPAC name of [(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine (CID 44587445) is [(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine.
What is the SMILES notation for [(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The canonical SMILES for [(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine is Cc1ccccc1O[C@@H]1c2ccccc2OC[C@@H]1CN.
What is the InChIKey of [(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The InChIKey is RQRGTZIPGLRQOJ-GUYCJALGSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-6-2-4-8-15(12)20-17-13(10-18)11-19-16-9-5-3-7-14(16)17/h2-9,13,17H,10-11,18H2,1H3/t13-,17-/m0/s1.
What are the key properties of [(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
[(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine has a molecular weight of 269.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine is sourced from PubChem (CID 44587445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).