2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol

C14H21NO2 — CID 117097087

IUPAC2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
SMILESCC1(C)CCCc2cc(C(O)CN)ccc2O1
InChIInChI=1S/C14H21NO2/c1-14(2)7-3-4-11-8-10(12(16)9-15)5-6-13(11)17-14/h5-6,8,12,16H,3-4,7,9,15H2,1-2H3
InChIKeyPAAZLBDIKKWBDL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds2

About 2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol

2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol (PubChem CID 117097087) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
PubChem CID117097087
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
SMILESCC1(C)CCCc2cc(C(O)CN)ccc2O1
InChIInChI=1S/C14H21NO2/c1-14(2)7-3-4-11-8-10(12(16)9-15)5-6-13(11)17-14/h5-6,8,12,16H,3-4,7,9,15H2,1-2H3
InChIKeyPAAZLBDIKKWBDL-UHFFFAOYSA-N
XLogP2.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)propan-1-amine
CID 117096978
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
(1S)-2-amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
CID 11615507
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
CID 42129765
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
2-amino-1-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylethanol
CID 117376316
2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol
CID 82340302
(2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid
CID 129394553
3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)butanoic acid
CID 117097127
2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol
CID 117097089
(1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol
CID 96752946

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol?
The IUPAC name of 2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol (CID 117097087) is 2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol?
The canonical SMILES for 2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol is CC1(C)CCCc2cc(C(O)CN)ccc2O1.
What is the InChIKey of 2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol?
The InChIKey is PAAZLBDIKKWBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2)7-3-4-11-8-10(12(16)9-15)5-6-13(11)17-14/h5-6,8,12,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of 2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol?
2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol is sourced from PubChem (CID 117097087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).