4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine

C14H22N2O — CID 82341416

IUPAC4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine
SMILESCC1(C)CNc2cc(CCCCN)ccc2O1
InChIInChI=1S/C14H22N2O/c1-14(2)10-16-12-9-11(5-3-4-8-15)6-7-13(12)17-14/h6-7,9,16H,3-5,8,10,15H2,1-2H3
InChIKeyOCBVQIBJPMRJHO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.55
Rot. Bonds4

About 4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine

4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine (PubChem CID 82341416) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine
PubChem CID82341416
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine
SMILESCC1(C)CNc2cc(CCCCN)ccc2O1
InChIInChI=1S/C14H22N2O/c1-14(2)10-16-12-9-11(5-3-4-8-15)6-7-13(12)17-14/h6-7,9,16H,3-5,8,10,15H2,1-2H3
InChIKeyOCBVQIBJPMRJHO-UHFFFAOYSA-N
XLogP2.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(azepan-1-yl)ethyl]-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
CID 82261046
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine
CID 65305870
2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine
CID 95416353
4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine
CID 117339343
2-[2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)ethylamino]butan-1-ol
CID 82261854
2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82261842
1-[6-(4-aminobutyl)-2,2-dimethyl-3H-1,4-benzoxazin-4-yl]ethanone
CID 82340647
2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-carbonitrile
CID 10535622
2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine
CID 83789523
4-(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)butan-1-amine
CID 117394420
N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82098791
3-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117343367

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine?
The IUPAC name of 4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine (CID 82341416) is 4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine.
What is the SMILES notation for 4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine?
The canonical SMILES for 4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine is CC1(C)CNc2cc(CCCCN)ccc2O1.
What is the InChIKey of 4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine?
The InChIKey is OCBVQIBJPMRJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)10-16-12-9-11(5-3-4-8-15)6-7-13(12)17-14/h6-7,9,16H,3-5,8,10,15H2,1-2H3.
What are the key properties of 4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine?
4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine is sourced from PubChem (CID 82341416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).