3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol

C18H21NO2 — CID 104523999

IUPAC3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
SMILESCC(NC1c2ccccc2OCC1C)c1cccc(O)c1
InChIInChI=1S/C18H21NO2/c1-12-11-21-17-9-4-3-8-16(17)18(12)19-13(2)14-6-5-7-15(20)10-14/h3-10,12-13,18-20H,11H2,1-2H3
InChIKeyGXGNKKRYPKXZBX-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.81
Rot. Bonds3

About 3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol

3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol (PubChem CID 104523999) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
PubChem CID104523999
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
SMILESCC(NC1c2ccccc2OCC1C)c1cccc(O)c1
InChIInChI=1S/C18H21NO2/c1-12-11-21-17-9-4-3-8-16(17)18(12)19-13(2)14-6-5-7-15(20)10-14/h3-10,12-13,18-20H,11H2,1-2H3
InChIKeyGXGNKKRYPKXZBX-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol?
The IUPAC name of 3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol (CID 104523999) is 3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol?
The canonical SMILES for 3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol is CC(NC1c2ccccc2OCC1C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol?
The InChIKey is GXGNKKRYPKXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-11-21-17-9-4-3-8-16(17)18(12)19-13(2)14-6-5-7-15(20)10-14/h3-10,12-13,18-20H,11H2,1-2H3.
What are the key properties of 3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol?
3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 104523999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).