2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine

C15H26N2O — CID 105348027

IUPAC2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine
SMILESCCOCCN(C)Cc1ccc(C(C)CN)cc1
InChIInChI=1S/C15H26N2O/c1-4-18-10-9-17(3)12-14-5-7-15(8-6-14)13(2)11-16/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyPYBYVLJTAZXPIO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.22
Rot. Bonds8

About 2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine

2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine (PubChem CID 105348027) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine
PubChem CID105348027
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine
SMILESCCOCCN(C)Cc1ccc(C(C)CN)cc1
InChIInChI=1S/C15H26N2O/c1-4-18-10-9-17(3)12-14-5-7-15(8-6-14)13(2)11-16/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyPYBYVLJTAZXPIO-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.22
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

2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161
4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline
CID 81055776
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309
N-[(4-butan-2-ylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214911
1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 81058535
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347050
N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine
CID 174181431
N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81058978
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 105347432

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine (CID 105348027) is 2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine is CCOCCN(C)Cc1ccc(C(C)CN)cc1.
What is the InChIKey of 2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine?
The InChIKey is PYBYVLJTAZXPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-18-10-9-17(3)12-14-5-7-15(8-6-14)13(2)11-16/h5-8,13H,4,9-12,16H2,1-3H3.
What are the key properties of 2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine?
2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105348027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).