4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol

C20H26N2O2 — CID 82261317

IUPAC4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol
SMILESCCC(Cc1ccc2c(c1)NCCO2)NCCc1ccc(O)cc1
InChIInChI=1S/C20H26N2O2/c1-2-17(21-10-9-15-3-6-18(23)7-4-15)13-16-5-8-20-19(14-16)22-11-12-24-20/h3-8,14,17,21-23H,2,9-13H2,1H3
InChIKeyGFIMMINVRHDSKI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.35
Rot. Bonds7

About 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol

4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol (PubChem CID 82261317) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol
PubChem CID82261317
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol
SMILESCCC(Cc1ccc2c(c1)NCCO2)NCCc1ccc(O)cc1
InChIInChI=1S/C20H26N2O2/c1-2-17(21-10-9-15-3-6-18(23)7-4-15)13-16-5-8-20-19(14-16)22-11-12-24-20/h3-8,14,17,21-23H,2,9-13H2,1H3
InChIKeyGFIMMINVRHDSKI-UHFFFAOYSA-N
XLogP3.35
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol with MolForge

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Related Compounds

1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine
CID 82261347
2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]acetic acid
CID 82261323
2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]-2-methylpropan-1-ol
CID 82261365
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 82261439
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[2-(4-hydroxyphenyl)ethylamino]ethanone
CID 95416716
1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol
CID 82261379
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82261464
N-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 82261405
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 82261463
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
2-[2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)ethylamino]butan-1-ol
CID 82261854
N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline
CID 28720339

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol?
The IUPAC name of 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol (CID 82261317) is 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol is CCC(Cc1ccc2c(c1)NCCO2)NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol?
The InChIKey is GFIMMINVRHDSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-17(21-10-9-15-3-6-18(23)7-4-15)13-16-5-8-20-19(14-16)22-11-12-24-20/h3-8,14,17,21-23H,2,9-13H2,1H3.
What are the key properties of 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol?
4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol has a molecular weight of 326.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol is sourced from PubChem (CID 82261317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).