1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine

C16H16N2O — CID 43436695

IUPAC1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
SMILESCc1ccc2nc(C(N)Cc3ccccc3)oc2c1
InChIInChI=1S/C16H16N2O/c1-11-7-8-14-15(9-11)19-16(18-14)13(17)10-12-5-3-2-4-6-12/h2-9,13H,10,17H2,1H3
InChIKeyXEKIGYJSDXVBRT-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.38
Rot. Bonds3

About 1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine

1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine (PubChem CID 43436695) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
PubChem CID43436695
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
SMILESCc1ccc2nc(C(N)Cc3ccccc3)oc2c1
InChIInChI=1S/C16H16N2O/c1-11-7-8-14-15(9-11)19-16(18-14)13(17)10-12-5-3-2-4-6-12/h2-9,13H,10,17H2,1H3
InChIKeyXEKIGYJSDXVBRT-UHFFFAOYSA-N
XLogP3.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 54936860
1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine
CID 114918250
2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 43470450
1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 60918146
2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 62882624
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 81085051
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
(1S)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 937321
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine?
The IUPAC name of 1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine (CID 43436695) is 1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine is Cc1ccc2nc(C(N)Cc3ccccc3)oc2c1.
What is the InChIKey of 1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine?
The InChIKey is XEKIGYJSDXVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-7-8-14-15(9-11)19-16(18-14)13(17)10-12-5-3-2-4-6-12/h2-9,13H,10,17H2,1H3.
What are the key properties of 1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine?
1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 43436695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).