N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine

C23H33NO4 — CID 54804024

IUPACN-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine
SMILESCCOCCOc1ccc(CNCc2ccc(C)cc2)c(OCCOCC)c1
InChIInChI=1S/C23H33NO4/c1-4-25-12-14-27-22-11-10-21(23(16-22)28-15-13-26-5-2)18-24-17-20-8-6-19(3)7-9-20/h6-11,16,24H,4-5,12-15,17-18H2,1-3H3
InChIKeyUBOXSZZIVWYWCJ-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.12
Rot. Bonds14

About N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine

N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine (PubChem CID 54804024) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine
PubChem CID54804024
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC NameN-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine
SMILESCCOCCOc1ccc(CNCc2ccc(C)cc2)c(OCCOCC)c1
InChIInChI=1S/C23H33NO4/c1-4-25-12-14-27-22-11-10-21(23(16-22)28-15-13-26-5-2)18-24-17-20-8-6-19(3)7-9-20/h6-11,16,24H,4-5,12-15,17-18H2,1-3H3
InChIKeyUBOXSZZIVWYWCJ-UHFFFAOYSA-N
XLogP4.12
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071
N-[(2,4-dihexoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803885
N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803870
N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine
CID 54804143
N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 54803920
N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine
CID 43472532
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 63323300
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
N-[(2,4-dibutoxyphenyl)methyl]hexan-1-amine
CID 54805232

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine (CID 54804024) is N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine is CCOCCOc1ccc(CNCc2ccc(C)cc2)c(OCCOCC)c1.
What is the InChIKey of N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is UBOXSZZIVWYWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-4-25-12-14-27-22-11-10-21(23(16-22)28-15-13-26-5-2)18-24-17-20-8-6-19(3)7-9-20/h6-11,16,24H,4-5,12-15,17-18H2,1-3H3.
What are the key properties of N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine?
N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 387.52 g/mol, XLogP of 4.12, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 54804024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).