N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine

C12H16N2O — CID 82230283

IUPACN-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
SMILESCNCc1nc2cccc(C(C)C)c2o1
InChIInChI=1S/C12H16N2O/c1-8(2)9-5-4-6-10-12(9)15-11(14-10)7-13-3/h4-6,8,13H,7H2,1-3H3
InChIKeyUNEBQWHXXMDKQV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.67
Rot. Bonds3

About N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine

N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine (PubChem CID 82230283) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
PubChem CID82230283
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
SMILESCNCc1nc2cccc(C(C)C)c2o1
InChIInChI=1S/C12H16N2O/c1-8(2)9-5-4-6-10-12(9)15-11(14-10)7-13-3/h4-6,8,13H,7H2,1-3H3
InChIKeyUNEBQWHXXMDKQV-UHFFFAOYSA-N
XLogP2.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82230825
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 82233706
N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230268
[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol
CID 131092416
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
CID 170958710
N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline
CID 79601457
2-ethyl-1,3-benzoxazol-7-amine
CID 28752253
N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049925
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543
2-ethyl-7-methylsulfanyl-1,3-benzoxazole
CID 130894129
6-phenyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline
CID 167354912

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine (CID 82230283) is N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine is CNCc1nc2cccc(C(C)C)c2o1.
What is the InChIKey of N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine?
The InChIKey is UNEBQWHXXMDKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)9-5-4-6-10-12(9)15-11(14-10)7-13-3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine?
N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine has a molecular weight of 204.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine is sourced from PubChem (CID 82230283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).