3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine

C16H26N2O — CID 82340510

IUPAC3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine
SMILESCCN1CC(C(C)C)Oc2ccc(CCCN)cc21
InChIInChI=1S/C16H26N2O/c1-4-18-11-16(12(2)3)19-15-8-7-13(6-5-9-17)10-14(15)18/h7-8,10,12,16H,4-6,9,11,17H2,1-3H3
InChIKeyQXTFSZMTELNIBR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.82
Rot. Bonds5

About 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine

3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine (PubChem CID 82340510) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine
PubChem CID82340510
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine
SMILESCCN1CC(C(C)C)Oc2ccc(CCCN)cc21
InChIInChI=1S/C16H26N2O/c1-4-18-11-16(12(2)3)19-15-8-7-13(6-5-9-17)10-14(15)18/h7-8,10,12,16H,4-6,9,11,17H2,1-3H3
InChIKeyQXTFSZMTELNIBR-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine with MolForge

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Related Compounds

3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine
CID 117203809
2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
CID 82142565
1-[6-(3-aminopropyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82340594
1-[6-(3-aminopropyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 82340817
6-(4-aminobutyl)-2,4-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82339815
(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339198
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine
CID 82340042
2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340486
6-(4-aminobutyl)-4-ethyl-2-methyl-1,4-benzoxazin-3-one
CID 82339705
6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82339879
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
N-(3-aminopropyl)-4-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355141

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine?
The IUPAC name of 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine (CID 82340510) is 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine.
What is the SMILES notation for 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine?
The canonical SMILES for 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine is CCN1CC(C(C)C)Oc2ccc(CCCN)cc21.
What is the InChIKey of 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine?
The InChIKey is QXTFSZMTELNIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18-11-16(12(2)3)19-15-8-7-13(6-5-9-17)10-14(15)18/h7-8,10,12,16H,4-6,9,11,17H2,1-3H3.
What are the key properties of 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine?
3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine is sourced from PubChem (CID 82340510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).