[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol

C15H22N2O2 — CID 82057982

IUPAC[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
SMILESOCc1ccc2c(c1)N(CCN1CCCC1)CCO2
InChIInChI=1S/C15H22N2O2/c18-12-13-3-4-15-14(11-13)17(9-10-19-15)8-7-16-5-1-2-6-16/h3-4,11,18H,1-2,5-10,12H2
InChIKeyOMOLUTCTLWGYGM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.47
Rot. Bonds4

About [4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol

[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol (PubChem CID 82057982) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol.

Molecular Properties

Compound Name[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
PubChem CID82057982
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
SMILESOCc1ccc2c(c1)N(CCN1CCCC1)CCO2
InChIInChI=1S/C15H22N2O2/c18-12-13-3-4-15-14(11-13)17(9-10-19-15)8-7-16-5-1-2-6-16/h3-4,11,18H,1-2,5-10,12H2
InChIKeyOMOLUTCTLWGYGM-UHFFFAOYSA-N
XLogP1.47
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
CID 82057953
[4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
CID 82057977
[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol
CID 82058003
(4-hexyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanol
CID 82058002
2-[6-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 95416692
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine
CID 82340042
2-[6-(2-piperidin-1-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 95416706
4-(2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 3070862
2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82096930
4-[2-(2-pyrrolidin-1-ylethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-7-amine
CID 118888984
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
4-(3-bromopropyl)-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 118225629

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
The IUPAC name of [4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol (CID 82057982) is [4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol.
What is the SMILES notation for [4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
The canonical SMILES for [4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol is OCc1ccc2c(c1)N(CCN1CCCC1)CCO2.
What is the InChIKey of [4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
The InChIKey is OMOLUTCTLWGYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-12-13-3-4-15-14(11-13)17(9-10-19-15)8-7-16-5-1-2-6-16/h3-4,11,18H,1-2,5-10,12H2.
What are the key properties of [4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol has a molecular weight of 262.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol is sourced from PubChem (CID 82057982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).