2-[4-(2-methylbutoxy)phenyl]ethanamine

C13H21NO — CID 62105840

IUPAC2-[4-(2-methylbutoxy)phenyl]ethanamine
SMILESCCC(C)COc1ccc(CCN)cc1
InChIInChI=1S/C13H21NO/c1-3-11(2)10-15-13-6-4-12(5-7-13)8-9-14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeySVQKNBGUINUCPD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.61
Rot. Bonds6

About 2-[4-(2-methylbutoxy)phenyl]ethanamine

2-[4-(2-methylbutoxy)phenyl]ethanamine (PubChem CID 62105840) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[4-(2-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methylbutoxy)phenyl]ethanamine
PubChem CID62105840
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[4-(2-methylbutoxy)phenyl]ethanamine
SMILESCCC(C)COc1ccc(CCN)cc1
InChIInChI=1S/C13H21NO/c1-3-11(2)10-15-13-6-4-12(5-7-13)8-9-14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeySVQKNBGUINUCPD-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2-methylbutoxy)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

[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
3-(4-butylphenoxy)-2-methylpropan-1-amine
CID 115492916
1-[(2S)-2-chlorobutoxy]-4-[[4-[(2R)-2-methylbutoxy]phenyl]methyl]benzene
CID 134310402
1-[(2R)-2-chlorobutoxy]-4-[[4-[(2S)-2-methylbutoxy]phenyl]methyl]benzene
CID 134310401
1-[(2R)-2-chlorobutoxy]-4-[[4-[(2R)-2-methylbutoxy]phenyl]methyl]benzene
CID 134310399
[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
CID 143390890
4-(4-ethylphenoxy)-3-methylbutan-1-amine
CID 112515228
[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
CID 88604896
4-[(2S)-2-methylbutoxy]phenol
CID 1490310
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
1-(4-butylphenoxy)-3-methylpentan-2-amine
CID 115492419

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-methylbutoxy)phenyl]ethanamine (CID 62105840) is 2-[4-(2-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-methylbutoxy)phenyl]ethanamine is CCC(C)COc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-methylbutoxy)phenyl]ethanamine?
The InChIKey is SVQKNBGUINUCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-11(2)10-15-13-6-4-12(5-7-13)8-9-14/h4-7,11H,3,8-10,14H2,1-2H3.
What are the key properties of 2-[4-(2-methylbutoxy)phenyl]ethanamine?
2-[4-(2-methylbutoxy)phenyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 62105840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).