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

C13H19NO2 — CID 18356979

IUPAC[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
SMILESCC(C)CN1CC(CO)Oc2ccccc21
InChIInChI=1S/C13H19NO2/c1-10(2)7-14-8-11(9-15)16-13-6-4-3-5-12(13)14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyMKDUSVZZPIEWNN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds3

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

[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol (PubChem CID 18356979) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
PubChem CID18356979
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
SMILESCC(C)CN1CC(CO)Oc2ccccc21
InChIInChI=1S/C13H19NO2/c1-10(2)7-14-8-11(9-15)16-13-6-4-3-5-12(13)14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyMKDUSVZZPIEWNN-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
CID 97238204
3-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propane-1-sulfonamide
CID 167855755
1-[2-ethyl-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025495
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 82112897
4-methylbenzenesulfonic acid;(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanol
CID 88501926
(6-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanol
CID 171370263
5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 83896552
tert-butyl (2S)-2-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 172757467
3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide
CID 18204760
[(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
CID 58765444
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 139990414

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
The IUPAC name of [4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol (CID 18356979) is [4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol.
What is the SMILES notation for [4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
The canonical SMILES for [4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol is CC(C)CN1CC(CO)Oc2ccccc21.
What is the InChIKey of [4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
The InChIKey is MKDUSVZZPIEWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)7-14-8-11(9-15)16-13-6-4-3-5-12(13)14/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol is sourced from PubChem (CID 18356979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).