(3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol

C13H18N2O2 — CID 143961796

IUPAC(3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol
SMILESNc1ccc2c(c1)OCC1CCC(CO)CN21
InChIInChI=1S/C13H18N2O2/c14-10-2-4-12-13(5-10)17-8-11-3-1-9(7-16)6-15(11)12/h2,4-5,9,11,16H,1,3,6-8,14H2
InChIKeyYLRVNAIGZKXMPH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.24
Rot. Bonds1

About (3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol

(3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol (PubChem CID 143961796) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol.

Molecular Properties

Compound Name(3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol
PubChem CID143961796
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol
SMILESNc1ccc2c(c1)OCC1CCC(CO)CN21
InChIInChI=1S/C13H18N2O2/c14-10-2-4-12-13(5-10)17-8-11-3-1-9(7-16)6-15(11)12/h2,4-5,9,11,16H,1,3,6-8,14H2
InChIKeyYLRVNAIGZKXMPH-UHFFFAOYSA-N
XLogP1.24
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazin-7-amine;2-methylbenzene-1,3-diol
CID 67536912
(4aR)-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 155139792
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 84620557
(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030
[1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112624050
[(3S)-7-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl]methanol
CID 59020655
[(3S)-6-amino-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
CID 131182312
5-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)pentan-1-ol
CID 118888976
2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)ethanol;2-chlorobenzene-1,4-diamine
CID 158828990
(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-cyclopropylmethanone
CID 82285435
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
CID 43133145
4-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-7-amine
CID 141485340

Frequently Asked Questions

What is the IUPAC name of (3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol?
The IUPAC name of (3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol (CID 143961796) is (3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol.
What is the SMILES notation for (3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol?
The canonical SMILES for (3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol is Nc1ccc2c(c1)OCC1CCC(CO)CN21.
What is the InChIKey of (3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol?
The InChIKey is YLRVNAIGZKXMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-10-2-4-12-13(5-10)17-8-11-3-1-9(7-16)6-15(11)12/h2,4-5,9,11,16H,1,3,6-8,14H2.
What are the key properties of (3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol?
(3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol has a molecular weight of 234.30 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol is sourced from PubChem (CID 143961796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).