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

C18H21NO2 — CID 104524065

IUPAC4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
SMILESCC1COc2ccccc2C1NCCc1ccc(O)cc1
InChIInChI=1S/C18H21NO2/c1-13-12-21-17-5-3-2-4-16(17)18(13)19-11-10-14-6-8-15(20)9-7-14/h2-9,13,18-20H,10-12H2,1H3
InChIKeyNIKRJAXRZSMCHX-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.29
Rot. Bonds4

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

4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol (PubChem CID 104524065) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
PubChem CID104524065
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
SMILESCC1COc2ccccc2C1NCCc1ccc(O)cc1
InChIInChI=1S/C18H21NO2/c1-13-12-21-17-5-3-2-4-16(17)18(13)19-11-10-14-6-8-15(20)9-7-14/h2-9,13,18-20H,10-12H2,1H3
InChIKeyNIKRJAXRZSMCHX-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol (CID 104524065) is 4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol is CC1COc2ccccc2C1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol?
The InChIKey is NIKRJAXRZSMCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-12-21-17-5-3-2-4-16(17)18(13)19-11-10-14-6-8-15(20)9-7-14/h2-9,13,18-20H,10-12H2,1H3.
What are the key properties of 4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol?
4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 104524065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).