2-(2-propan-2-yloxyphenyl)ethanamine

C11H17NO — CID 22379502

IUPAC2-(2-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccccc1CCN
InChIInChI=1S/C11H17NO/c1-9(2)13-11-6-4-3-5-10(11)7-8-12/h3-6,9H,7-8,12H2,1-2H3
InChIKeyMIJJXKZXKLCWEM-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.98
Rot. Bonds4

About 2-(2-propan-2-yloxyphenyl)ethanamine

2-(2-propan-2-yloxyphenyl)ethanamine (PubChem CID 22379502) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-propan-2-yloxyphenyl)ethanamine
PubChem CID22379502
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(2-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccccc1CCN
InChIInChI=1S/C11H17NO/c1-9(2)13-11-6-4-3-5-10(11)7-8-12/h3-6,9H,7-8,12H2,1-2H3
InChIKeyMIJJXKZXKLCWEM-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-thiophen-2-ylethoxy)phenyl]ethanamine
CID 82037470
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
1-(methoxymethyl)-2-propan-2-yloxybenzene
CID 154665726
2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 54931415
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
2-methyl-1-(2-propan-2-yloxyphenyl)propane-2-thiol
CID 171921851
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
N-(1-aminopropan-2-yl)-N-methyl-2-(2-propan-2-yloxyphenyl)acetamide
CID 119582125
2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 82160549
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(2-propan-2-yloxyphenyl)ethanamine (CID 22379502) is 2-(2-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(2-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccccc1CCN.
What is the InChIKey of 2-(2-propan-2-yloxyphenyl)ethanamine?
The InChIKey is MIJJXKZXKLCWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)13-11-6-4-3-5-10(11)7-8-12/h3-6,9H,7-8,12H2,1-2H3.
What are the key properties of 2-(2-propan-2-yloxyphenyl)ethanamine?
2-(2-propan-2-yloxyphenyl)ethanamine has a molecular weight of 179.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 22379502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).