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

C15H25NO — CID 62265523

IUPACN-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
SMILESCCCC(C)COc1ccccc1CNCC
InChIInChI=1S/C15H25NO/c1-4-8-13(3)12-17-15-10-7-6-9-14(15)11-16-5-2/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3
InChIKeyJAIAJJLSWHBFPE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.61
Rot. Bonds8

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

N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine (PubChem CID 62265523) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
PubChem CID62265523
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
SMILESCCCC(C)COc1ccccc1CNCC
InChIInChI=1S/C15H25NO/c1-4-8-13(3)12-17-15-10-7-6-9-14(15)11-16-5-2/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3
InChIKeyJAIAJJLSWHBFPE-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(2-methylpentoxy)phenyl]methyl]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

N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine
CID 103285372
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 112609626
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
1-[2-(propylaminomethyl)phenoxy]propan-2-ol
CID 60881781
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 55073215
2-[2-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107713005
N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107695953
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
N-[[2-(2-methylpropoxy)phenyl]methyl]butan-1-amine
CID 54797416
2-(2-methylpentoxy)aniline
CID 45075234

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine (CID 62265523) is N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine is CCCC(C)COc1ccccc1CNCC.
What is the InChIKey of N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine?
The InChIKey is JAIAJJLSWHBFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-8-13(3)12-17-15-10-7-6-9-14(15)11-16-5-2/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3.
What are the key properties of N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine?
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 62265523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).