N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline

C24H27NO2 — CID 54801649

IUPACN-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
SMILESCC(C)COc1cccc(CNc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H27NO2/c1-19(2)17-26-23-12-6-10-21(14-23)16-25-22-11-7-13-24(15-22)27-18-20-8-4-3-5-9-20/h3-15,19,25H,16-18H2,1-2H3
InChIKeyXKIVEVGFDHKNNV-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.91
Rot. Bonds9

About N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline

N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline (PubChem CID 54801649) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
PubChem CID54801649
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
SMILESCC(C)COc1cccc(CNc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H27NO2/c1-19(2)17-26-23-12-6-10-21(14-23)16-25-22-11-7-13-24(15-22)27-18-20-8-4-3-5-9-20/h3-15,19,25H,16-18H2,1-2H3
InChIKeyXKIVEVGFDHKNNV-UHFFFAOYSA-N
XLogP5.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
N-benzyl-3-phenylmethoxyaniline
CID 54801332
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-[(4-chlorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 54800055
N-[[3-(2-methylpropoxy)phenyl]methyl]-4-(3-phenylpropoxy)aniline
CID 54801132
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
3-[(3-phenylmethoxyphenyl)methylamino]benzoic acid
CID 4987566
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
N-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 63449936
N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
CID 54801284

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline?
The IUPAC name of N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline (CID 54801649) is N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline.
What is the SMILES notation for N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline?
The canonical SMILES for N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline is CC(C)COc1cccc(CNc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline?
The InChIKey is XKIVEVGFDHKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-19(2)17-26-23-12-6-10-21(14-23)16-25-22-11-7-13-24(15-22)27-18-20-8-4-3-5-9-20/h3-15,19,25H,16-18H2,1-2H3.
What are the key properties of N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline?
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline has a molecular weight of 361.49 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline is sourced from PubChem (CID 54801649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).