2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol

C13H19NO2 — CID 82242261

IUPAC2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol
SMILESCc1cc2c(c(C(O)CN)c1)OCCCC2
InChIInChI=1S/C13H19NO2/c1-9-6-10-4-2-3-5-16-13(10)11(7-9)12(15)8-14/h6-7,12,15H,2-5,8,14H2,1H3
InChIKeyGWPMBRODOTXSRR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds2

About 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol

2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol (PubChem CID 82242261) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol
PubChem CID82242261
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol
SMILESCc1cc2c(c(C(O)CN)c1)OCCCC2
InChIInChI=1S/C13H19NO2/c1-9-6-10-4-2-3-5-16-13(10)11(7-9)12(15)8-14/h6-7,12,15H,2-5,8,14H2,1H3
InChIKeyGWPMBRODOTXSRR-UHFFFAOYSA-N
XLogP1.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol 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

2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol
CID 82244780
(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-pyrrolidin-2-ylmethanol
CID 82246205
(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-piperidin-3-ylmethanol
CID 82248255
(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 130617223
1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanone
CID 82241376
3-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)butan-1-one
CID 82244284
9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol
CID 102149497
2-chloro-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-one
CID 82245104
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
8-iodo-6-methyl-3,4-dihydro-2H-chromene
CID 59113741
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
2-amino-1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)ethanol
CID 117301278

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol?
The IUPAC name of 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol (CID 82242261) is 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol.
What is the SMILES notation for 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol?
The canonical SMILES for 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol is Cc1cc2c(c(C(O)CN)c1)OCCCC2.
What is the InChIKey of 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol?
The InChIKey is GWPMBRODOTXSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-10-4-2-3-5-16-13(10)11(7-9)12(15)8-14/h6-7,12,15H,2-5,8,14H2,1H3.
What are the key properties of 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol?
2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol is sourced from PubChem (CID 82242261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).