N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine

C30H30FNO4 — CID 54803920

IUPACN-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(OCCOc3ccccc3)cc2OCCOc2ccccc2)cc1
InChIInChI=1S/C30H30FNO4/c31-26-14-11-24(12-15-26)22-32-23-25-13-16-29(35-18-17-33-27-7-3-1-4-8-27)21-30(25)36-20-19-34-28-9-5-2-6-10-28/h1-16,21,32H,17-20,22-23H2
InChIKeyPFKDPOGDWMORQQ-UHFFFAOYSA-N
MW487.57 g/mol
LogP6.03
Rot. Bonds14

About N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine

N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 54803920) has the molecular formula C30H30FNO4 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine
PubChem CID54803920
Molecular FormulaC30H30FNO4
Molecular Weight487.57 g/mol
Exact Mass487.22
IUPAC NameN-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(OCCOc3ccccc3)cc2OCCOc2ccccc2)cc1
InChIInChI=1S/C30H30FNO4/c31-26-14-11-24(12-15-26)22-32-23-25-13-16-29(35-18-17-33-27-7-3-1-4-8-27)21-30(25)36-20-19-34-28-9-5-2-6-10-28/h1-16,21,32H,17-20,22-23H2
InChIKeyPFKDPOGDWMORQQ-UHFFFAOYSA-N
XLogP6.03
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 56.03
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-dihexoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803885
N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803870
N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-3-phenylpropan-1-amine
CID 54804457
N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine
CID 54804143
N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54804024
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
4-fluoro-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796483
N-[[2,4-bis(3-phenylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 54804846
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
CID 54803819
N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54803862

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine (CID 54803920) is N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine is Fc1ccc(CNCc2ccc(OCCOc3ccccc3)cc2OCCOc2ccccc2)cc1.
What is the InChIKey of N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is PFKDPOGDWMORQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FNO4/c31-26-14-11-24(12-15-26)22-32-23-25-13-16-29(35-18-17-33-27-7-3-1-4-8-27)21-30(25)36-20-19-34-28-9-5-2-6-10-28/h1-16,21,32H,17-20,22-23H2.
What are the key properties of N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine?
N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 487.57 g/mol, XLogP of 6.03, 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-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 54803920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).