2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine

C15H24N2O — CID 82025271

IUPAC2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine
SMILESCCCCCN1CC(CC)Oc2cc(N)ccc21
InChIInChI=1S/C15H24N2O/c1-3-5-6-9-17-11-13(4-2)18-15-10-12(16)7-8-14(15)17/h7-8,10,13H,3-6,9,11,16H2,1-2H3
InChIKeyHMDAMARVMHZQBC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.44
Rot. Bonds5

About 2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine

2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine (PubChem CID 82025271) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine.

Molecular Properties

Compound Name2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine
PubChem CID82025271
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine
SMILESCCCCCN1CC(CC)Oc2cc(N)ccc21
InChIInChI=1S/C15H24N2O/c1-3-5-6-9-17-11-13(4-2)18-15-10-12(16)7-8-14(15)17/h7-8,10,13H,3-6,9,11,16H2,1-2H3
InChIKeyHMDAMARVMHZQBC-UHFFFAOYSA-N
XLogP3.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-7-amine
CID 82025387
2-ethyl-4-(methoxymethyl)-2,3-dihydro-1,4-benzoxazin-7-amine
CID 82025339
4-[7-(aminomethyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
CID 82339186
2,2-diethyl-4-pentyl-3H-1,4-benzoxazin-7-amine
CID 82162223
2,2-diethyl-4-heptyl-3H-1,4-benzoxazin-7-amine
CID 82162228
4-[(4-chlorophenyl)methyl]-2-ethyl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82025212
(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339065
1-[2-ethyl-4-(3-hydroxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025517
3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340461
2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340460
N-ethyl-3-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 82096950
[2-ethyl-4-(2-methylprop-2-enyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339178

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine?
The IUPAC name of 2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine (CID 82025271) is 2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine.
What is the SMILES notation for 2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine?
The canonical SMILES for 2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine is CCCCCN1CC(CC)Oc2cc(N)ccc21.
What is the InChIKey of 2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine?
The InChIKey is HMDAMARVMHZQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-6-9-17-11-13(4-2)18-15-10-12(16)7-8-14(15)17/h7-8,10,13H,3-6,9,11,16H2,1-2H3.
What are the key properties of 2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine?
2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine has a molecular weight of 248.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine is sourced from PubChem (CID 82025271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).