N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline

C30H31NO2 — CID 54801323

IUPACN-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
SMILESc1ccc(CCCOc2ccccc2NCc2ccccc2OCCc2ccccc2)cc1
InChIInChI=1S/C30H31NO2/c1-3-12-25(13-4-1)16-11-22-32-30-20-10-8-18-28(30)31-24-27-17-7-9-19-29(27)33-23-21-26-14-5-2-6-15-26/h1-10,12-15,17-20,31H,11,16,21-24H2
InChIKeyACLZYYKHJDLJDV-UHFFFAOYSA-N
MW437.58 g/mol
LogP6.93
Rot. Bonds12

About N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline

N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline (PubChem CID 54801323) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline.

Molecular Properties

Compound NameN-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
PubChem CID54801323
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC NameN-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
SMILESc1ccc(CCCOc2ccccc2NCc2ccccc2OCCc2ccccc2)cc1
InChIInChI=1S/C30H31NO2/c1-3-12-25(13-4-1)16-11-22-32-30-20-10-8-18-28(30)31-24-27-17-7-9-19-29(27)33-23-21-26-14-5-2-6-15-26/h1-10,12-15,17-20,31H,11,16,21-24H2
InChIKeyACLZYYKHJDLJDV-UHFFFAOYSA-N
XLogP6.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 56.93
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

2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54801329
N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795991
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796664
N-[[2-(2-phenylethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799401
1-phenyl-2-[[2-(2-phenylethoxy)phenyl]methyl]hydrazine
CID 169385834
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801301
2-(3-phenylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54801278
N-[(4-heptoxyphenyl)methyl]-2-(3-phenylpropoxy)aniline
CID 54801229
[[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate
CID 87890217

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
The IUPAC name of N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline (CID 54801323) is N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline.
What is the SMILES notation for N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
The canonical SMILES for N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline is c1ccc(CCCOc2ccccc2NCc2ccccc2OCCc2ccccc2)cc1.
What is the InChIKey of N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
The InChIKey is ACLZYYKHJDLJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2/c1-3-12-25(13-4-1)16-11-22-32-30-20-10-8-18-28(30)31-24-27-17-7-9-19-29(27)33-23-21-26-14-5-2-6-15-26/h1-10,12-15,17-20,31H,11,16,21-24H2.
What are the key properties of N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline has a molecular weight of 437.58 g/mol, XLogP of 6.93, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline is sourced from PubChem (CID 54801323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).