(3-propan-2-yloxyphenyl)methanamine

C10H15NO — CID 2760935

IUPAC(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(CN)c1
InChIInChI=1S/C10H15NO/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8H,7,11H2,1-2H3
InChIKeyYRNFZPXUBVUYBJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.93
Rot. Bonds3

About (3-propan-2-yloxyphenyl)methanamine

(3-propan-2-yloxyphenyl)methanamine (PubChem CID 2760935) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)methanamine
PubChem CID2760935
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(CN)c1
InChIInChI=1S/C10H15NO/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8H,7,11H2,1-2H3
InChIKeyYRNFZPXUBVUYBJ-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (3-propan-2-yloxyphenyl)methanamine (CID 2760935) is (3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (3-propan-2-yloxyphenyl)methanamine is CC(C)Oc1cccc(CN)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)methanamine?
The InChIKey is YRNFZPXUBVUYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8H,7,11H2,1-2H3.
What are the key properties of (3-propan-2-yloxyphenyl)methanamine?
(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 165.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 2760935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).