N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine

C19H21FN2O — CID 71242012

IUPACN-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine
SMILESCCNc1ccc2c(c1)OC(C)(C)N=C2c1ccc(F)c(C)c1
InChIInChI=1S/C19H21FN2O/c1-5-21-14-7-8-15-17(11-14)23-19(3,4)22-18(15)13-6-9-16(20)12(2)10-13/h6-11,21H,5H2,1-4H3
InChIKeyYWZJXMIARXMIFC-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.53
Rot. Bonds3

About N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine

N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine (PubChem CID 71242012) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine
PubChem CID71242012
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine
SMILESCCNc1ccc2c(c1)OC(C)(C)N=C2c1ccc(F)c(C)c1
InChIInChI=1S/C19H21FN2O/c1-5-21-14-7-8-15-17(11-14)23-19(3,4)22-18(15)13-6-9-16(20)12(2)10-13/h6-11,21H,5H2,1-4H3
InChIKeyYWZJXMIARXMIFC-UHFFFAOYSA-N
XLogP4.53
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine?
The IUPAC name of N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine (CID 71242012) is N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine.
What is the SMILES notation for N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine?
The canonical SMILES for N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine is CCNc1ccc2c(c1)OC(C)(C)N=C2c1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine?
The InChIKey is YWZJXMIARXMIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-5-21-14-7-8-15-17(11-14)23-19(3,4)22-18(15)13-6-9-16(20)12(2)10-13/h6-11,21H,5H2,1-4H3.
What are the key properties of N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine?
N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine has a molecular weight of 312.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine is sourced from PubChem (CID 71242012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).