N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine

C18H28N2O — CID 82261572

IUPACN-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine
SMILESCC(Cc1ccc2c(c1)NCC(C)O2)NC1CCCCC1
InChIInChI=1S/C18H28N2O/c1-13(20-16-6-4-3-5-7-16)10-15-8-9-18-17(11-15)19-12-14(2)21-18/h8-9,11,13-14,16,19-20H,3-7,10,12H2,1-2H3
InChIKeyARMAFYAIHIZLBG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.73
Rot. Bonds4

About N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine

N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine (PubChem CID 82261572) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine
PubChem CID82261572
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine
SMILESCC(Cc1ccc2c(c1)NCC(C)O2)NC1CCCCC1
InChIInChI=1S/C18H28N2O/c1-13(20-16-6-4-3-5-7-16)10-15-8-9-18-17(11-15)19-12-14(2)21-18/h8-9,11,13-14,16,19-20H,3-7,10,12H2,1-2H3
InChIKeyARMAFYAIHIZLBG-UHFFFAOYSA-N
XLogP3.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine?
The IUPAC name of N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine (CID 82261572) is N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine.
What is the SMILES notation for N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine?
The canonical SMILES for N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine is CC(Cc1ccc2c(c1)NCC(C)O2)NC1CCCCC1.
What is the InChIKey of N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine?
The InChIKey is ARMAFYAIHIZLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(20-16-6-4-3-5-7-16)10-15-8-9-18-17(11-15)19-12-14(2)21-18/h8-9,11,13-14,16,19-20H,3-7,10,12H2,1-2H3.
What are the key properties of N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine?
N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine has a molecular weight of 288.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine is sourced from PubChem (CID 82261572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).