4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

C11H15NO2 — CID 75464999

IUPAC4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SMILESCc1cccc2c1OCCC(N)C2O
InChIInChI=1S/C11H15NO2/c1-7-3-2-4-8-10(13)9(12)5-6-14-11(7)8/h2-4,9-10,13H,5-6,12H2,1H3
InChIKeyPZZRUNVYIPAFAM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.14
Rot. Bonds

About 4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (PubChem CID 75464999) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.

Molecular Properties

Compound Name4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
PubChem CID75464999
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SMILESCc1cccc2c1OCCC(N)C2O
InChIInChI=1S/C11H15NO2/c1-7-3-2-4-8-10(13)9(12)5-6-14-11(7)8/h2-4,9-10,13H,5-6,12H2,1H3
InChIKeyPZZRUNVYIPAFAM-UHFFFAOYSA-N
XLogP1.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 75366060
(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 15420539
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran
CID 134427945
4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
CID 139748942
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
(3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol
CID 124510547
3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol
CID 83753144
4-[[(5S)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]cyclohexan-1-ol
CID 93282055
(4R,5S)-4-amino-7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 94985824
9-methyl-2,3,4,5-tetrahydro-1-benzoxepine-5-carbonitrile
CID 82241028
(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 42220750

Frequently Asked Questions

What is the IUPAC name of 4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The IUPAC name of 4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (CID 75464999) is 4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.
What is the SMILES notation for 4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The canonical SMILES for 4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol is Cc1cccc2c1OCCC(N)C2O.
What is the InChIKey of 4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The InChIKey is PZZRUNVYIPAFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-3-2-4-8-10(13)9(12)5-6-14-11(7)8/h2-4,9-10,13H,5-6,12H2,1H3.
What are the key properties of 4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol has a molecular weight of 193.25 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol is sourced from PubChem (CID 75464999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).