2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol

C13H18N2O2 — CID 115133411

IUPAC2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
SMILESCc1nc2cc(CNC(C)(C)CO)ccc2o1
InChIInChI=1S/C13H18N2O2/c1-9-15-11-6-10(4-5-12(11)17-9)7-14-13(2,3)8-16/h4-6,14,16H,7-8H2,1-3H3
InChIKeyZTNWMUBTDAKQGW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol

2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol (PubChem CID 115133411) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
PubChem CID115133411
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
SMILESCc1nc2cc(CNC(C)(C)CO)ccc2o1
InChIInChI=1S/C13H18N2O2/c1-9-15-11-6-10(4-5-12(11)17-9)7-14-13(2,3)8-16/h4-6,14,16H,7-8H2,1-3H3
InChIKeyZTNWMUBTDAKQGW-UHFFFAOYSA-N
XLogP2.00
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,2-diamine
CID 115135941
3-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,3-diamine
CID 115200643
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate
CID 115232907
N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine
CID 115195341
2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]ethanethiol
CID 115224002
2,2-dimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,4-diamine
CID 115204917
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzene-1,2-diol
CID 28724969
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 116932187
3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol
CID 115134171
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol
CID 116852345
3-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propanenitrile
CID 115230914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol (CID 115133411) is 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol is Cc1nc2cc(CNC(C)(C)CO)ccc2o1.
What is the InChIKey of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol?
The InChIKey is ZTNWMUBTDAKQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-15-11-6-10(4-5-12(11)17-9)7-14-13(2,3)8-16/h4-6,14,16H,7-8H2,1-3H3.
What are the key properties of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol?
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 115133411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).