N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine

C17H30N2O — CID 63323050

IUPACN-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1OCCN(CC)CC
InChIInChI=1S/C17H30N2O/c1-5-10-18-14-16-13-15(4)8-9-17(16)20-12-11-19(6-2)7-3/h8-9,13,18H,5-7,10-12,14H2,1-4H3
InChIKeyVKUZGTHTEXKOMQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.22
Rot. Bonds10

About N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine

N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine (PubChem CID 63323050) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
PubChem CID63323050
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1OCCN(CC)CC
InChIInChI=1S/C17H30N2O/c1-5-10-18-14-16-13-15(4)8-9-17(16)20-12-11-19(6-2)7-3/h8-9,13,18H,5-7,10-12,14H2,1-4H3
InChIKeyVKUZGTHTEXKOMQ-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.22
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

N-[[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 43278002
N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 80699310
N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 63323300
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
N-[(5-methyl-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 63323347
N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687173
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine
CID 39291785
N-[[5-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527230
N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107696867
N-[[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999785

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine (CID 63323050) is N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine is CCCNCc1cc(C)ccc1OCCN(CC)CC.
What is the InChIKey of N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine?
The InChIKey is VKUZGTHTEXKOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-10-18-14-16-13-15(4)8-9-17(16)20-12-11-19(6-2)7-3/h8-9,13,18H,5-7,10-12,14H2,1-4H3.
What are the key properties of N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine?
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 63323050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).