N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine

C26H39NO2 — CID 54804143

IUPACN-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCCCOc1ccc(CNCc2ccccc2)c(OCCCCCC)c1
InChIInChI=1S/C26H39NO2/c1-3-5-7-12-18-28-25-17-16-24(22-27-21-23-14-10-9-11-15-23)26(20-25)29-19-13-8-6-4-2/h9-11,14-17,20,27H,3-8,12-13,18-19,21-22H2,1-2H3
InChIKeySPIOMRUYIUBATF-UHFFFAOYSA-N
MW397.60 g/mol
LogP6.89
Rot. Bonds16

About N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine

N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 54804143) has the molecular formula C26H39NO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID54804143
Molecular FormulaC26H39NO2
Molecular Weight397.60 g/mol
Exact Mass397.30
IUPAC NameN-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCCCOc1ccc(CNCc2ccccc2)c(OCCCCCC)c1
InChIInChI=1S/C26H39NO2/c1-3-5-7-12-18-28-25-17-16-24(22-27-21-23-14-10-9-11-15-23)26(20-25)29-19-13-8-6-4-2/h9-11,14-17,20,27H,3-8,12-13,18-19,21-22H2,1-2H3
InChIKeySPIOMRUYIUBATF-UHFFFAOYSA-N
XLogP6.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 56.89
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-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
N-[(2,4-dihexoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803885
N-[[2,4-bis(3-phenylpropoxy)phenyl]methyl]octan-1-amine
CID 54807874
N-[(2,4-dioctoxyphenyl)methyl]butan-1-amine
CID 54804875
N-[(2,4-dibutoxyphenyl)methyl]hexan-1-amine
CID 54805232
methyl 2-[[2,4-di(docosoxy)phenyl]methylamino]acetate
CID 71604456
N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 54803920
N-[[2,4-bis(3-phenylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 54804846
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine
CID 54805012
N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-3-phenylpropan-1-amine
CID 54804457

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine (CID 54804143) is N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine is CCCCCCOc1ccc(CNCc2ccccc2)c(OCCCCCC)c1.
What is the InChIKey of N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is SPIOMRUYIUBATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO2/c1-3-5-7-12-18-28-25-17-16-24(22-27-21-23-14-10-9-11-15-23)26(20-25)29-19-13-8-6-4-2/h9-11,14-17,20,27H,3-8,12-13,18-19,21-22H2,1-2H3.
What are the key properties of N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine?
N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 397.60 g/mol, XLogP of 6.89, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 54804143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).