3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

C11H15NO2 — CID 13446113

IUPAC3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SMILESCNC1COc2ccccc2C(O)C1
InChIInChI=1S/C11H15NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-5,8,10,12-13H,6-7H2,1H3
InChIKeyJWUPWOYNGNTOKD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.09
Rot. Bonds1

About 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (PubChem CID 13446113) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.

Molecular Properties

Compound Name3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
PubChem CID13446113
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SMILESCNC1COc2ccccc2C(O)C1
InChIInChI=1S/C11H15NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-5,8,10,12-13H,6-7H2,1H3
InChIKeyJWUPWOYNGNTOKD-UHFFFAOYSA-N
XLogP1.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-(butylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446124
2,3-dihydro-1-benzofuran-3-ol
CID 585896
(3R,5R)-3-amino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446112
N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine
CID 103561957
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 130124286
N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine
CID 81421466
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771
(3S)-N-methyl-2,3-dihydro-1,4-benzodioxin-3-amine
CID 94841715
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
CID 167482973

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The IUPAC name of 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (CID 13446113) is 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.
What is the SMILES notation for 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The canonical SMILES for 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol is CNC1COc2ccccc2C(O)C1.
What is the InChIKey of 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The InChIKey is JWUPWOYNGNTOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-5,8,10,12-13H,6-7H2,1H3.
What are the key properties of 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol has a molecular weight of 193.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol is sourced from PubChem (CID 13446113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).