(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine

C10H13NO — CID 70116238

IUPAC(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine
SMILESCN[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C10H13NO/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h2-5,10-11H,6-7H2,1H3/t10-/m0/s1
InChIKeyCSRUYHPJWRTHKB-JTQLQIEISA-N
MW163.22 g/mol
LogP1.56
Rot. Bonds1

About (2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine

(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine (PubChem CID 70116238) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine
PubChem CID70116238
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine
SMILESCN[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C10H13NO/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h2-5,10-11H,6-7H2,1H3/t10-/m0/s1
InChIKeyCSRUYHPJWRTHKB-JTQLQIEISA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine?
The IUPAC name of (2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine (CID 70116238) is (2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine.
What is the SMILES notation for (2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine?
The canonical SMILES for (2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine is CN[C@@H]1CCc2ccccc2O1.
What is the InChIKey of (2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine?
The InChIKey is CSRUYHPJWRTHKB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h2-5,10-11H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine?
(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine is sourced from PubChem (CID 70116238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).