2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol

C17H19NO2 — CID 107700076

IUPAC2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol
SMILESCc1ccc(NC2c3ccccc3OCC2C)cc1O
InChIInChI=1S/C17H19NO2/c1-11-7-8-13(9-15(11)19)18-17-12(2)10-20-16-6-4-3-5-14(16)17/h3-9,12,17-19H,10H2,1-2H3
InChIKeyXQKOKLSZCROJEW-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.88
Rot. Bonds2

About 2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol

2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol (PubChem CID 107700076) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol.

Molecular Properties

Compound Name2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol
PubChem CID107700076
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol
SMILESCc1ccc(NC2c3ccccc3OCC2C)cc1O
InChIInChI=1S/C17H19NO2/c1-11-7-8-13(9-15(11)19)18-17-12(2)10-20-16-6-4-3-5-14(16)17/h3-9,12,17-19H,10H2,1-2H3
InChIKeyXQKOKLSZCROJEW-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524166
N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524228
3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523755
N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523967
4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104524065
3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104523999
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid
CID 81282707
3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propane-1-sulfonamide
CID 104524113
N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol?
The IUPAC name of 2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol (CID 107700076) is 2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol.
What is the SMILES notation for 2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol?
The canonical SMILES for 2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol is Cc1ccc(NC2c3ccccc3OCC2C)cc1O.
What is the InChIKey of 2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol?
The InChIKey is XQKOKLSZCROJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-7-8-13(9-15(11)19)18-17-12(2)10-20-16-6-4-3-5-14(16)17/h3-9,12,17-19H,10H2,1-2H3.
What are the key properties of 2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol?
2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol has a molecular weight of 269.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol is sourced from PubChem (CID 107700076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).