2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine

C15H18N2O — CID 84630321

IUPAC2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine
SMILESCN1c2c(ccc3ccccc23)OCC1CCN
InChIInChI=1S/C15H18N2O/c1-17-12(8-9-16)10-18-14-7-6-11-4-2-3-5-13(11)15(14)17/h2-7,12H,8-10,16H2,1H3
InChIKeyCYBHGUJGLSPDOD-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.39
Rot. Bonds2

About 2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine

2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine (PubChem CID 84630321) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine
PubChem CID84630321
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine
SMILESCN1c2c(ccc3ccccc23)OCC1CCN
InChIInChI=1S/C15H18N2O/c1-17-12(8-9-16)10-18-14-7-6-11-4-2-3-5-13(11)15(14)17/h2-7,12H,8-10,16H2,1H3
InChIKeyCYBHGUJGLSPDOD-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
CID 84620761
2-methyl-13-oxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 58185057
3-(4-methyl-2,3-dihydrobenzo[h][1,4]benzoxazin-3-yl)propanoic acid
CID 84641614
12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaen-14-amine
CID 139362841
1-chloro-2H-benzo[e][1,3]benzoxazole
CID 154258852
14-propan-2-yl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 130249976
methyl 3-(2-aminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 84633746
4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060206
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
CID 84620756
2-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
CID 84618930
3-(2-hydroxyethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile
CID 84622820
12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene
CID 129289170

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine?
The IUPAC name of 2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine (CID 84630321) is 2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine.
What is the SMILES notation for 2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine?
The canonical SMILES for 2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine is CN1c2c(ccc3ccccc23)OCC1CCN.
What is the InChIKey of 2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine?
The InChIKey is CYBHGUJGLSPDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-12(8-9-16)10-18-14-7-6-11-4-2-3-5-13(11)15(14)17/h2-7,12H,8-10,16H2,1H3.
What are the key properties of 2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine?
2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3-dihydrobenzo[f][1,4]benzoxazin-2-yl)ethanamine is sourced from PubChem (CID 84630321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).