2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine

C13H21NO — CID 117110840

IUPAC2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine
SMILESCOCC(C)(C)c1ccccc1CCN
InChIInChI=1S/C13H21NO/c1-13(2,10-15-3)12-7-5-4-6-11(12)8-9-14/h4-7H,8-10,14H2,1-3H3
InChIKeyLXYFIOJRVZKCRY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds5

About 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine

2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine (PubChem CID 117110840) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine
PubChem CID117110840
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine
SMILESCOCC(C)(C)c1ccccc1CCN
InChIInChI=1S/C13H21NO/c1-13(2,10-15-3)12-7-5-4-6-11(12)8-9-14/h4-7H,8-10,14H2,1-3H3
InChIKeyLXYFIOJRVZKCRY-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine
CID 117108057
3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107937
(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol
CID 55295656
3-(2-tert-butylphenyl)propan-1-amine
CID 84772141
2-(1-methoxy-2-methylpropan-2-yl)benzonitrile
CID 115110865
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine
CID 117112781
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine
CID 117114607
4-[2-(1,1-difluoroethyl)phenyl]butan-1-amine
CID 117304302
2-(2-aminoethyl)-6-(1,1-difluoroethyl)phenol
CID 84670019
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid
CID 115113081

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine (CID 117110840) is 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine is COCC(C)(C)c1ccccc1CCN.
What is the InChIKey of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine?
The InChIKey is LXYFIOJRVZKCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,10-15-3)12-7-5-4-6-11(12)8-9-14/h4-7H,8-10,14H2,1-3H3.
What are the key properties of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine?
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 117110840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).