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

C16H24N2O2 — CID 176752769

IUPAC(2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine
SMILESCO[C@H](C)CNCc1cc(C)c2oc(C(C)C)nc2c1
InChIInChI=1S/C16H24N2O2/c1-10(2)16-18-14-7-13(6-11(3)15(14)20-16)9-17-8-12(4)19-5/h6-7,10,12,17H,8-9H2,1-5H3/t12-/m1/s1
InChIKeyIJXOIBOHYMGVDW-GFCCVEGCSA-N
MW276.38 g/mol
LogP3.38
Rot. Bonds6

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

(2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine (PubChem CID 176752769) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine
PubChem CID176752769
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine
SMILESCO[C@H](C)CNCc1cc(C)c2oc(C(C)C)nc2c1
InChIInChI=1S/C16H24N2O2/c1-10(2)16-18-14-7-13(6-11(3)15(14)20-16)9-17-8-12(4)19-5/h6-7,10,12,17H,8-9H2,1-5H3/t12-/m1/s1
InChIKeyIJXOIBOHYMGVDW-GFCCVEGCSA-N
XLogP3.38
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine
CID 166557077
5-(methylaminomethyl)-2-propan-2-yl-1,3-benzoxazole-7-carbonitrile
CID 166557740
N-(2-methoxypropyl)-6-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102700801
1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane
CID 166557075
2,6-dibromo-4-[(2-methoxypropylamino)methyl]phenol
CID 107741128
cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167273871
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine
CID 166556473
[7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol
CID 166557542
5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole
CID 144879686
2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
CID 166556677
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine?
The IUPAC name of (2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine (CID 176752769) is (2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for (2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for (2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine is CO[C@H](C)CNCc1cc(C)c2oc(C(C)C)nc2c1.
What is the InChIKey of (2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine?
The InChIKey is IJXOIBOHYMGVDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)16-18-14-7-13(6-11(3)15(14)20-16)9-17-8-12(4)19-5/h6-7,10,12,17H,8-9H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine?
(2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 176752769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).