[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol

C17H19NO2 — CID 82058003

IUPAC[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol
SMILESOCc1ccc2c(c1)OCCN2CCc1ccccc1
InChIInChI=1S/C17H19NO2/c19-13-15-6-7-16-17(12-15)20-11-10-18(16)9-8-14-4-2-1-3-5-14/h1-7,12,19H,8-11,13H2
InChIKeyGXZPSLIXBYMYQZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.62
Rot. Bonds4

About [4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol

[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol (PubChem CID 82058003) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol.

Molecular Properties

Compound Name[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol
PubChem CID82058003
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol
SMILESOCc1ccc2c(c1)OCCN2CCc1ccccc1
InChIInChI=1S/C17H19NO2/c19-13-15-6-7-16-17(12-15)20-11-10-18(16)9-8-14-4-2-1-3-5-14/h1-7,12,19H,8-11,13H2
InChIKeyGXZPSLIXBYMYQZ-UHFFFAOYSA-N
XLogP2.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(4-hexyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanol
CID 82058002
4-[[[methoxy-[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methyl]amino]methyl]benzenethiol
CID 142286525
4-benzyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 82379365
[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
CID 82057982
(4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339274
3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol
CID 83777474
4-(2-benzylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine
CID 141011373
2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide
CID 86972389
[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
CID 82057953
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 118724005
5-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)pentan-1-ol
CID 118888976
[4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
CID 82057977

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol?
The IUPAC name of [4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol (CID 82058003) is [4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol.
What is the SMILES notation for [4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol?
The canonical SMILES for [4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol is OCc1ccc2c(c1)OCCN2CCc1ccccc1.
What is the InChIKey of [4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol?
The InChIKey is GXZPSLIXBYMYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-13-15-6-7-16-17(12-15)20-11-10-18(16)9-8-14-4-2-1-3-5-14/h1-7,12,19H,8-11,13H2.
What are the key properties of [4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol?
[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol has a molecular weight of 269.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol is sourced from PubChem (CID 82058003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).