2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine

C13H21NO — CID 43590757

IUPAC2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
SMILESCCOCCNCc1ccc(CC)cc1
InChIInChI=1S/C13H21NO/c1-3-12-5-7-13(8-6-12)11-14-9-10-15-4-2/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyQBVOZZXMNBOJBW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.38
Rot. Bonds7

About 2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine

2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine (PubChem CID 43590757) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
PubChem CID43590757
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
SMILESCCOCCNCc1ccc(CC)cc1
InChIInChI=1S/C13H21NO/c1-3-12-5-7-13(8-6-12)11-14-9-10-15-4-2/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyQBVOZZXMNBOJBW-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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

2-ethoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 43590781
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
3-ethoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 4716360
2-[(4-ethylphenyl)methylamino]ethyl acetate
CID 82533444
tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate
CID 143202067
2-bromo-4-[(2-ethoxyethylamino)methyl]phenol
CID 60956459
N-[(4-bromophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584489
2-bromo-N-[(4-ethylphenyl)methyl]ethanamine
CID 115572456
1-(2-ethoxyethyl)-4-ethylbenzene
CID 70640844
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate
CID 82533439

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine (CID 43590757) is 2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine is CCOCCNCc1ccc(CC)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine?
The InChIKey is QBVOZZXMNBOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-12-5-7-13(8-6-12)11-14-9-10-15-4-2/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine?
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43590757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).