N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine

C16H23NO2 — CID 114712477

IUPACN,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CCOCC2)Oc2ccc(C)cc21
InChIInChI=1S/C16H23NO2/c1-11-3-4-15-13(9-11)14(17-2)10-16(19-15)12-5-7-18-8-6-12/h3-4,9,12,14,16-17H,5-8,10H2,1-2H3
InChIKeyDDFWLAXFVYFKRD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.83
Rot. Bonds2

About N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine

N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712477) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712477
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CCOCC2)Oc2ccc(C)cc21
InChIInChI=1S/C16H23NO2/c1-11-3-4-15-13(9-11)14(17-2)10-16(19-15)12-5-7-18-8-6-12/h3-4,9,12,14,16-17H,5-8,10H2,1-2H3
InChIKeyDDFWLAXFVYFKRD-UHFFFAOYSA-N
XLogP2.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114712477) is N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine is CNC1CC(C2CCOCC2)Oc2ccc(C)cc21.
What is the InChIKey of N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DDFWLAXFVYFKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-3-4-15-13(9-11)14(17-2)10-16(19-15)12-5-7-18-8-6-12/h3-4,9,12,14,16-17H,5-8,10H2,1-2H3.
What are the key properties of N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).