2-(4-benzylphenoxy)-2-methylpropan-1-amine

C17H21NO — CID 62353621

IUPAC2-(4-benzylphenoxy)-2-methylpropan-1-amine
SMILESCC(C)(CN)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-17(2,13-18)19-16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11H,12-13,18H2,1-2H3
InChIKeyLUQAPIJXPVCVHZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-benzylphenoxy)-2-methylpropan-1-amine

2-(4-benzylphenoxy)-2-methylpropan-1-amine (PubChem CID 62353621) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-benzylphenoxy)-2-methylpropan-1-amine
PubChem CID62353621
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(4-benzylphenoxy)-2-methylpropan-1-amine
SMILESCC(C)(CN)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-17(2,13-18)19-16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11H,12-13,18H2,1-2H3
InChIKeyLUQAPIJXPVCVHZ-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenoxy)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-benzylphenoxy)-2-methylpropan-1-amine (CID 62353621) is 2-(4-benzylphenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-benzylphenoxy)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-benzylphenoxy)-2-methylpropan-1-amine is CC(C)(CN)Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylphenoxy)-2-methylpropan-1-amine?
The InChIKey is LUQAPIJXPVCVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,13-18)19-16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11H,12-13,18H2,1-2H3.
What are the key properties of 2-(4-benzylphenoxy)-2-methylpropan-1-amine?
2-(4-benzylphenoxy)-2-methylpropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 62353621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).