2-[4-(2-methylphenoxy)butoxy]ethanamine

C13H21NO2 — CID 82352615

IUPAC2-[4-(2-methylphenoxy)butoxy]ethanamine
SMILESCc1ccccc1OCCCCOCCN
InChIInChI=1S/C13H21NO2/c1-12-6-2-3-7-13(12)16-10-5-4-9-15-11-8-14/h2-3,6-7H,4-5,8-11,14H2,1H3
InChIKeyUDNBOZACQKQKFU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds8

About 2-[4-(2-methylphenoxy)butoxy]ethanamine

2-[4-(2-methylphenoxy)butoxy]ethanamine (PubChem CID 82352615) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-(2-methylphenoxy)butoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methylphenoxy)butoxy]ethanamine
PubChem CID82352615
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[4-(2-methylphenoxy)butoxy]ethanamine
SMILESCc1ccccc1OCCCCOCCN
InChIInChI=1S/C13H21NO2/c1-12-6-2-3-7-13(12)16-10-5-4-9-15-11-8-14/h2-3,6-7H,4-5,8-11,14H2,1H3
InChIKeyUDNBOZACQKQKFU-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
2-[2-(2-fluoro-3-methylphenoxy)ethoxy]ethanamine
CID 107658319
3-[4-(2-methylphenoxy)butylsulfonyl]propan-1-amine
CID 82180142
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
2-(3-naphthalen-1-yloxypropoxy)ethanamine
CID 82353335
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535
N-ethyl-2-[3-(2-methylphenoxy)propoxy]ethanamine
CID 82353873
2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine
CID 82138560

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenoxy)butoxy]ethanamine?
The IUPAC name of 2-[4-(2-methylphenoxy)butoxy]ethanamine (CID 82352615) is 2-[4-(2-methylphenoxy)butoxy]ethanamine.
What is the SMILES notation for 2-[4-(2-methylphenoxy)butoxy]ethanamine?
The canonical SMILES for 2-[4-(2-methylphenoxy)butoxy]ethanamine is Cc1ccccc1OCCCCOCCN.
What is the InChIKey of 2-[4-(2-methylphenoxy)butoxy]ethanamine?
The InChIKey is UDNBOZACQKQKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12-6-2-3-7-13(12)16-10-5-4-9-15-11-8-14/h2-3,6-7H,4-5,8-11,14H2,1H3.
What are the key properties of 2-[4-(2-methylphenoxy)butoxy]ethanamine?
2-[4-(2-methylphenoxy)butoxy]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenoxy)butoxy]ethanamine is sourced from PubChem (CID 82352615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).