N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine

C14H14N2O — CID 142772734

IUPACN,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine
SMILESCN(C)C1=NCc2c(ccc3ccccc23)O1
InChIInChI=1S/C14H14N2O/c1-16(2)14-15-9-12-11-6-4-3-5-10(11)7-8-13(12)17-14/h3-8H,9H2,1-2H3
InChIKeyXZGHUIZOMFHYSQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.65
Rot. Bonds

About N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine

N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine (PubChem CID 142772734) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine
PubChem CID142772734
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine
SMILESCN(C)C1=NCc2c(ccc3ccccc23)O1
InChIInChI=1S/C14H14N2O/c1-16(2)14-15-9-12-11-6-4-3-5-10(11)7-8-13(12)17-14/h3-8H,9H2,1-2H3
InChIKeyXZGHUIZOMFHYSQ-UHFFFAOYSA-N
XLogP2.65
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20820440
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine?
The IUPAC name of N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine (CID 142772734) is N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine.
What is the SMILES notation for N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine?
The canonical SMILES for N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine is CN(C)C1=NCc2c(ccc3ccccc23)O1.
What is the InChIKey of N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine?
The InChIKey is XZGHUIZOMFHYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16(2)14-15-9-12-11-6-4-3-5-10(11)7-8-13(12)17-14/h3-8H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine?
N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine has a molecular weight of 226.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1H-benzo[f][1,3]benzoxazin-3-amine is sourced from PubChem (CID 142772734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).