N-[2-(2-ethylphenoxy)ethyl]propan-1-amine

C13H21NO — CID 43364346

IUPACN-[2-(2-ethylphenoxy)ethyl]propan-1-amine
SMILESCCCNCCOc1ccccc1CC
InChIInChI=1S/C13H21NO/c1-3-9-14-10-11-15-13-8-6-5-7-12(13)4-2/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyBQBAMYMRHXHBKK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(2-ethylphenoxy)ethyl]propan-1-amine

N-[2-(2-ethylphenoxy)ethyl]propan-1-amine (PubChem CID 43364346) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-(2-ethylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethylphenoxy)ethyl]propan-1-amine
PubChem CID43364346
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[2-(2-ethylphenoxy)ethyl]propan-1-amine
SMILESCCCNCCOc1ccccc1CC
InChIInChI=1S/C13H21NO/c1-3-9-14-10-11-15-13-8-6-5-7-12(13)4-2/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyBQBAMYMRHXHBKK-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 55093398
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
N-[2-(2-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 55065540
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
1-ethyl-2-heptoxybenzene
CID 22723794
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-ethylphenoxy)ethyl]propan-1-amine (CID 43364346) is N-[2-(2-ethylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-ethylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-ethylphenoxy)ethyl]propan-1-amine is CCCNCCOc1ccccc1CC.
What is the InChIKey of N-[2-(2-ethylphenoxy)ethyl]propan-1-amine?
The InChIKey is BQBAMYMRHXHBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-9-14-10-11-15-13-8-6-5-7-12(13)4-2/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(2-ethylphenoxy)ethyl]propan-1-amine?
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 43364346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).