N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline

C35H37N3O4 — CID 167465674

IUPACN-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
SMILESCOc1cccc(CN(Cc2ccc(-n3cccn3)cc2)c2cccc(OCCOCCOCc3ccccc3)c2)c1
InChIInChI=1S/C35H37N3O4/c1-39-34-12-5-10-31(24-34)27-37(26-29-14-16-32(17-15-29)38-19-7-18-36-38)33-11-6-13-35(25-33)42-23-22-40-20-21-41-28-30-8-3-2-4-9-30/h2-19,24-25H,20-23,26-28H2,1H3
InChIKeySFWOUGIJIAXSDY-UHFFFAOYSA-N
MW563.70 g/mol
LogP6.70
Rot. Bonds16

About N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline

N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline (PubChem CID 167465674) has the molecular formula C35H37N3O4 and a molecular weight of 563.70 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
PubChem CID167465674
Molecular FormulaC35H37N3O4
Molecular Weight563.70 g/mol
Exact Mass563.28
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
SMILESCOc1cccc(CN(Cc2ccc(-n3cccn3)cc2)c2cccc(OCCOCCOCc3ccccc3)c2)c1
InChIInChI=1S/C35H37N3O4/c1-39-34-12-5-10-31(24-34)27-37(26-29-14-16-32(17-15-29)38-19-7-18-36-38)33-11-6-13-35(25-33)42-23-22-40-20-21-41-28-30-8-3-2-4-9-30/h2-19,24-25H,20-23,26-28H2,1H3
InChIKeySFWOUGIJIAXSDY-UHFFFAOYSA-N
XLogP6.70
TPSA57.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 167465198
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 167466346
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine
CID 171483692
3-[[4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]anilino]methyl]-N,N-dimethylaniline
CID 167466319
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
CID 167465242
N-[(3-methoxyphenyl)methyl]-2-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465463
3-[2-[[4-[(3-imidazol-1-ylphenyl)methyl-[(3-methoxyphenyl)methyl]amino]phenyl]methoxy]ethoxy]-N,N-dimethylaniline
CID 167465647
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466330
N-[(3-methoxyphenyl)methyl]-5-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 167465527
N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]aniline
CID 167466026
1-[[3-[(3-methoxyphenyl)methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]phenyl]methyl]piperazine-2,5-dione
CID 167465943
N-(3H-benzimidazol-5-ylmethyl)-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N-[(3-methoxyphenyl)methyl]aniline
CID 167465588

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline (CID 167465674) is N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline is COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)c2cccc(OCCOCCOCc3ccccc3)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The InChIKey is SFWOUGIJIAXSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O4/c1-39-34-12-5-10-31(24-34)27-37(26-29-14-16-32(17-15-29)38-19-7-18-36-38)33-11-6-13-35(25-33)42-23-22-40-20-21-41-28-30-8-3-2-4-9-30/h2-19,24-25H,20-23,26-28H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline has a molecular weight of 563.70 g/mol, XLogP of 6.70, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 167465674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).