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

C16H16N2O — CID 62487138

IUPAC1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine
SMILESCc1ccc2nc(C(C)(N)c3ccccc3)oc2c1
InChIInChI=1S/C16H16N2O/c1-11-8-9-13-14(10-11)19-15(18-13)16(2,17)12-6-4-3-5-7-12/h3-10H,17H2,1-2H3
InChIKeyVHSSMHRAVLTSFP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.36
Rot. Bonds2

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

1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine (PubChem CID 62487138) 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)-1-phenylethanamine.

Molecular Properties

Compound Name1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine
PubChem CID62487138
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine
SMILESCc1ccc2nc(C(C)(N)c3ccccc3)oc2c1
InChIInChI=1S/C16H16N2O/c1-11-8-9-13-14(10-11)19-15(18-13)16(2,17)12-6-4-3-5-7-12/h3-10H,17H2,1-2H3
InChIKeyVHSSMHRAVLTSFP-UHFFFAOYSA-N
XLogP3.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 64668295
1-(4-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine
CID 62487316
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 43470450
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 63676578
1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 43436695
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969
2-tert-butyl-1,3-benzoxazol-6-amine
CID 39112039
1,1-diphenylethanamine
CID 12761172

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine?
The IUPAC name of 1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine (CID 62487138) is 1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine.
What is the SMILES notation for 1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine?
The canonical SMILES for 1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine is Cc1ccc2nc(C(C)(N)c3ccccc3)oc2c1.
What is the InChIKey of 1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine?
The InChIKey is VHSSMHRAVLTSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-8-9-13-14(10-11)19-15(18-13)16(2,17)12-6-4-3-5-7-12/h3-10H,17H2,1-2H3.
What are the key properties of 1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine?
1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.36, 2 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)-1-phenylethanamine is sourced from PubChem (CID 62487138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).