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

C14H23NO — CID 62266954

IUPAC2-[2-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccccc1CCN
InChIInChI=1S/C14H23NO/c1-3-6-12(2)11-16-14-8-5-4-7-13(14)9-10-15/h4-5,7-8,12H,3,6,9-11,15H2,1-2H3
InChIKeyBVNSOXJRWYATRX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds7

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

2-[2-(2-methylpentoxy)phenyl]ethanamine (PubChem CID 62266954) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[2-(2-methylpentoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methylpentoxy)phenyl]ethanamine
PubChem CID62266954
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[2-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccccc1CCN
InChIInChI=1S/C14H23NO/c1-3-6-12(2)11-16-14-8-5-4-7-13(14)9-10-15/h4-5,7-8,12H,3,6,9-11,15H2,1-2H3
InChIKeyBVNSOXJRWYATRX-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2-methylpentoxy)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

2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine
CID 62264353
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
2-(2-methylpentoxy)aniline
CID 45075234
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol
CID 107713014
1-(3-methylhexyl)-2-[2-(3-methylhexyl)phenoxy]benzene
CID 70615491
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol
CID 58242057
2-(2-methylpentoxy)benzonitrile
CID 62265352

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpentoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-(2-methylpentoxy)phenyl]ethanamine (CID 62266954) is 2-[2-(2-methylpentoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-methylpentoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-(2-methylpentoxy)phenyl]ethanamine is CCCC(C)COc1ccccc1CCN.
What is the InChIKey of 2-[2-(2-methylpentoxy)phenyl]ethanamine?
The InChIKey is BVNSOXJRWYATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-6-12(2)11-16-14-8-5-4-7-13(14)9-10-15/h4-5,7-8,12H,3,6,9-11,15H2,1-2H3.
What are the key properties of 2-[2-(2-methylpentoxy)phenyl]ethanamine?
2-[2-(2-methylpentoxy)phenyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpentoxy)phenyl]ethanamine is sourced from PubChem (CID 62266954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).