N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline

C35H33NO4 — CID 50888447

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline
SMILESCOc1cc(CNc2ccc(COc3ccc(OCc4ccccc4)cc3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C35H33NO4/c1-37-35-22-30(14-21-34(35)40-26-28-10-6-3-7-11-28)23-36-31-15-12-29(13-16-31)25-39-33-19-17-32(18-20-33)38-24-27-8-4-2-5-9-27/h2-22,36H,23-26H2,1H3
InChIKeyKJBSCMVDAHCBIN-UHFFFAOYSA-N
MW531.65 g/mol
LogP8.04
Rot. Bonds13

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline (PubChem CID 50888447) has the molecular formula C35H33NO4 and a molecular weight of 531.65 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline
PubChem CID50888447
Molecular FormulaC35H33NO4
Molecular Weight531.65 g/mol
Exact Mass531.24
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline
SMILESCOc1cc(CNc2ccc(COc3ccc(OCc4ccccc4)cc3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C35H33NO4/c1-37-35-22-30(14-21-34(35)40-26-28-10-6-3-7-11-28)23-36-31-15-12-29(13-16-31)25-39-33-19-17-32(18-20-33)38-24-27-8-4-2-5-9-27/h2-22,36H,23-26H2,1H3
InChIKeyKJBSCMVDAHCBIN-UHFFFAOYSA-N
XLogP8.04
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.65
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126119873
4-ethoxy-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126121890
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methoxyaniline
CID 23792149
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
4-[[4-[(4-chloroanilino)methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 3588361
4-chloro-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]aniline
CID 3348285
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
CID 118960656
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 66525608

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline (CID 50888447) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline is COc1cc(CNc2ccc(COc3ccc(OCc4ccccc4)cc3)cc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline?
The InChIKey is KJBSCMVDAHCBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33NO4/c1-37-35-22-30(14-21-34(35)40-26-28-10-6-3-7-11-28)23-36-31-15-12-29(13-16-31)25-39-33-19-17-32(18-20-33)38-24-27-8-4-2-5-9-27/h2-22,36H,23-26H2,1H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline has a molecular weight of 531.65 g/mol, XLogP of 8.04, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline is sourced from PubChem (CID 50888447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).