(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol

C17H26N2O2 — CID 82340404

IUPAC(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
SMILESCCC1CN(CC)c2cc(C(O)C3CCCN3)ccc2O1
InChIInChI=1S/C17H26N2O2/c1-3-13-11-19(4-2)15-10-12(7-8-16(15)21-13)17(20)14-6-5-9-18-14/h7-8,10,13-14,17-18,20H,3-6,9,11H2,1-2H3
InChIKeyTZIKIERBUPIGFQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.47
Rot. Bonds4

About (2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol

(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol (PubChem CID 82340404) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
PubChem CID82340404
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
SMILESCCC1CN(CC)c2cc(C(O)C3CCCN3)ccc2O1
InChIInChI=1S/C17H26N2O2/c1-3-13-11-19(4-2)15-10-12(7-8-16(15)21-13)17(20)14-6-5-9-18-14/h7-8,10,13-14,17-18,20H,3-6,9,11H2,1-2H3
InChIKeyTZIKIERBUPIGFQ-UHFFFAOYSA-N
XLogP2.47
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diethyl-6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-benzoxazin-3-one
CID 82339706
(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol
CID 82340294
4-ethyl-6-[hydroxy(pyrrolidin-2-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82339741
1-[6-[hydroxy(pyrrolidin-2-yl)methyl]-2,2-dimethyl-3H-1,4-benzoxazin-4-yl]ethanone
CID 82340629
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
CID 82341357
2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340408
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257
(3-propylphenyl)-pyrrolidin-2-ylmethanol
CID 106640142
1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82340588
1-[2-ethyl-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025495
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 64867888

Frequently Asked Questions

What is the IUPAC name of (2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol (CID 82340404) is (2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol is CCC1CN(CC)c2cc(C(O)C3CCCN3)ccc2O1.
What is the InChIKey of (2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is TZIKIERBUPIGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-13-11-19(4-2)15-10-12(7-8-16(15)21-13)17(20)14-6-5-9-18-14/h7-8,10,13-14,17-18,20H,3-6,9,11H2,1-2H3.
What are the key properties of (2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol?
(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 290.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 82340404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).