2-(3-cyclobutylphenyl)-2-methylpropan-1-amine

C14H21N — CID 114607219

IUPAC2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1cccc(C2CCC2)c1
InChIInChI=1S/C14H21N/c1-14(2,10-15)13-8-4-7-12(9-13)11-5-3-6-11/h4,7-9,11H,3,5-6,10,15H2,1-2H3
InChIKeyLYJNESNTGRTWMD-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.19
Rot. Bonds3

About 2-(3-cyclobutylphenyl)-2-methylpropan-1-amine

2-(3-cyclobutylphenyl)-2-methylpropan-1-amine (PubChem CID 114607219) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-(3-cyclobutylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
PubChem CID114607219
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1cccc(C2CCC2)c1
InChIInChI=1S/C14H21N/c1-14(2,10-15)13-8-4-7-12(9-13)11-5-3-6-11/h4,7-9,11H,3,5-6,10,15H2,1-2H3
InChIKeyLYJNESNTGRTWMD-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-cyclobutylphenyl)-2-methylpropan-1-amine (CID 114607219) is 2-(3-cyclobutylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-cyclobutylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-cyclobutylphenyl)-2-methylpropan-1-amine is CC(C)(CN)c1cccc(C2CCC2)c1.
What is the InChIKey of 2-(3-cyclobutylphenyl)-2-methylpropan-1-amine?
The InChIKey is LYJNESNTGRTWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-14(2,10-15)13-8-4-7-12(9-13)11-5-3-6-11/h4,7-9,11H,3,5-6,10,15H2,1-2H3.
What are the key properties of 2-(3-cyclobutylphenyl)-2-methylpropan-1-amine?
2-(3-cyclobutylphenyl)-2-methylpropan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114607219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).