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

C24H35NO2 — CID 54804142

IUPACN-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCCOc1ccc(CNCc2ccccc2)c(OCCCCC)c1
InChIInChI=1S/C24H35NO2/c1-3-5-10-16-26-23-15-14-22(24(18-23)27-17-11-6-4-2)20-25-19-21-12-8-7-9-13-21/h7-9,12-15,18,25H,3-6,10-11,16-17,19-20H2,1-2H3
InChIKeyUFCXVLIJXGSVOG-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.11
Rot. Bonds14

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

N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 54804142) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID54804142
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC NameN-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCCOc1ccc(CNCc2ccccc2)c(OCCCCC)c1
InChIInChI=1S/C24H35NO2/c1-3-5-10-16-26-23-15-14-22(24(18-23)27-17-11-6-4-2)20-25-19-21-12-8-7-9-13-21/h7-9,12-15,18,25H,3-6,10-11,16-17,19-20H2,1-2H3
InChIKeyUFCXVLIJXGSVOG-UHFFFAOYSA-N
XLogP6.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.11
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-dihexoxyphenyl)methyl]-1-phenylmethanamine
CID 54804143
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
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
methyl 2-[[2,4-di(docosoxy)phenyl]methylamino]acetate
CID 71604456
1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine
CID 54805012
N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-3-phenylpropan-1-amine
CID 54804457
N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54804024
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine (CID 54804142) is N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine is CCCCCOc1ccc(CNCc2ccccc2)c(OCCCCC)c1.
What is the InChIKey of N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is UFCXVLIJXGSVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-3-5-10-16-26-23-15-14-22(24(18-23)27-17-11-6-4-2)20-25-19-21-12-8-7-9-13-21/h7-9,12-15,18,25H,3-6,10-11,16-17,19-20H2,1-2H3.
What are the key properties of N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine?
N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 369.55 g/mol, XLogP of 6.11, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 54804142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).