2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine

C16H25NO2 — CID 103887972

IUPAC2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
SMILESCC(C)Oc1cccc(CNC2CCOC(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-12(2)19-16-6-4-5-14(10-16)11-17-15-7-8-18-13(3)9-15/h4-6,10,12-13,15,17H,7-9,11H2,1-3H3
InChIKeyRIFVAGQNFOAHGJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds5

About 2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine

2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine (PubChem CID 103887972) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
PubChem CID103887972
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
SMILESCC(C)Oc1cccc(CNC2CCOC(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-12(2)19-16-6-4-5-14(10-16)11-17-15-7-8-18-13(3)9-15/h4-6,10,12-13,15,17H,7-9,11H2,1-3H3
InChIKeyRIFVAGQNFOAHGJ-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine (CID 103887972) is 2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine is CC(C)Oc1cccc(CNC2CCOC(C)C2)c1.
What is the InChIKey of 2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine?
The InChIKey is RIFVAGQNFOAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)19-16-6-4-5-14(10-16)11-17-15-7-8-18-13(3)9-15/h4-6,10,12-13,15,17H,7-9,11H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine?
2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 103887972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).