2-[2-(2-methylpropoxymethyl)phenyl]ethanamine

C13H21NO — CID 115464547

IUPAC2-[2-(2-methylpropoxymethyl)phenyl]ethanamine
SMILESCC(C)COCc1ccccc1CCN
InChIInChI=1S/C13H21NO/c1-11(2)9-15-10-13-6-4-3-5-12(13)7-8-14/h3-6,11H,7-10,14H2,1-2H3
InChIKeyABUZFBXRUQQDMF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.36
Rot. Bonds6

About 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine

2-[2-(2-methylpropoxymethyl)phenyl]ethanamine (PubChem CID 115464547) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methylpropoxymethyl)phenyl]ethanamine
PubChem CID115464547
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[2-(2-methylpropoxymethyl)phenyl]ethanamine
SMILESCC(C)COCc1ccccc1CCN
InChIInChI=1S/C13H21NO/c1-11(2)9-15-10-13-6-4-3-5-12(13)7-8-14/h3-6,11H,7-10,14H2,1-2H3
InChIKeyABUZFBXRUQQDMF-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
CID 62445508
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
CID 62445506
2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine
CID 114470709
1,2-dimethyl-3-(2-methylpropoxymethyl)benzene
CID 122553324
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
3-[2-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-amine
CID 106448592
2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine (CID 115464547) is 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine is CC(C)COCc1ccccc1CCN.
What is the InChIKey of 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine?
The InChIKey is ABUZFBXRUQQDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)9-15-10-13-6-4-3-5-12(13)7-8-14/h3-6,11H,7-10,14H2,1-2H3.
What are the key properties of 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine?
2-[2-(2-methylpropoxymethyl)phenyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 115464547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).