1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine

C17H26N2O2 — CID 166557077

IUPAC1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine
SMILESCOCC(C)(C)NCc1cc(C)c2oc(C(C)C)nc2c1
InChIInChI=1S/C17H26N2O2/c1-11(2)16-19-14-8-13(7-12(3)15(14)21-16)9-18-17(4,5)10-20-6/h7-8,11,18H,9-10H2,1-6H3
InChIKeyNKDYSOOAPSXCJJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.77
Rot. Bonds6

About 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine

1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine (PubChem CID 166557077) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine
PubChem CID166557077
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine
SMILESCOCC(C)(C)NCc1cc(C)c2oc(C(C)C)nc2c1
InChIInChI=1S/C17H26N2O2/c1-11(2)16-19-14-8-13(7-12(3)15(14)21-16)9-18-17(4,5)10-20-6/h7-8,11,18H,9-10H2,1-6H3
InChIKeyNKDYSOOAPSXCJJ-UHFFFAOYSA-N
XLogP3.77
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine
CID 176752769
5-(methylaminomethyl)-2-propan-2-yl-1,3-benzoxazole-7-carbonitrile
CID 166557740
1-methoxy-2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-2-amine
CID 105378674
cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167273871
1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane
CID 166557075
1-methoxy-2-methyl-N-(pyrimidin-5-ylmethyl)propan-2-amine
CID 115608009
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115609373
1-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 115608160
N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine
CID 166556473
6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 82230256
2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
CID 166556677
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol
CID 111112626

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine (CID 166557077) is 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine is COCC(C)(C)NCc1cc(C)c2oc(C(C)C)nc2c1.
What is the InChIKey of 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine?
The InChIKey is NKDYSOOAPSXCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)16-19-14-8-13(7-12(3)15(14)21-16)9-18-17(4,5)10-20-6/h7-8,11,18H,9-10H2,1-6H3.
What are the key properties of 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine?
1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine has a molecular weight of 290.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 166557077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).