1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine

C17H18N2O — CID 114918250

IUPAC1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine
SMILESCc1ccc2nc(C(N)CCc3ccccc3)oc2c1
InChIInChI=1S/C17H18N2O/c1-12-7-10-15-16(11-12)20-17(19-15)14(18)9-8-13-5-3-2-4-6-13/h2-7,10-11,14H,8-9,18H2,1H3
InChIKeyYXMFMQVDACBHEM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.77
Rot. Bonds4

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

1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine (PubChem CID 114918250) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine
PubChem CID114918250
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine
SMILESCc1ccc2nc(C(N)CCc3ccccc3)oc2c1
InChIInChI=1S/C17H18N2O/c1-12-7-10-15-16(11-12)20-17(19-15)14(18)9-8-13-5-3-2-4-6-13/h2-7,10-11,14H,8-9,18H2,1H3
InChIKeyYXMFMQVDACBHEM-UHFFFAOYSA-N
XLogP3.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 43436695
1-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 54936860
1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine
CID 114917404
2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 43470450
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
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
N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 95074884
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine
CID 63675606
2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 81085051
1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine
CID 63675448

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine (CID 114918250) is 1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine is Cc1ccc2nc(C(N)CCc3ccccc3)oc2c1.
What is the InChIKey of 1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine?
The InChIKey is YXMFMQVDACBHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-7-10-15-16(11-12)20-17(19-15)14(18)9-8-13-5-3-2-4-6-13/h2-7,10-11,14H,8-9,18H2,1H3.
What are the key properties of 1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine?
1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 3.77, 4 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)-3-phenylpropan-1-amine is sourced from PubChem (CID 114918250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).