N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine

C27H26N2O — CID 150101041

IUPACN-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CNc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H26N2O/c1-30-26-18-16-25(17-19-26)29-27(20-28-24-10-6-3-7-11-24)23-14-12-22(13-15-23)21-8-4-2-5-9-21/h2-19,27-29H,20H2,1H3
InChIKeyDVGGCFARLGZQAU-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.63
Rot. Bonds8

About N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine

N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine (PubChem CID 150101041) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine
PubChem CID150101041
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC NameN-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CNc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H26N2O/c1-30-26-18-16-25(17-19-26)29-27(20-28-24-10-6-3-7-11-24)23-14-12-22(13-15-23)21-8-4-2-5-9-21/h2-19,27-29H,20H2,1H3
InChIKeyDVGGCFARLGZQAU-UHFFFAOYSA-N
XLogP6.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline
CID 102256773
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 68527948
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline
CID 102081447
4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
CID 46204143

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine (CID 150101041) is N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine is COc1ccc(NC(CNc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine?
The InChIKey is DVGGCFARLGZQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-30-26-18-16-25(17-19-26)29-27(20-28-24-10-6-3-7-11-24)23-14-12-22(13-15-23)21-8-4-2-5-9-21/h2-19,27-29H,20H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine?
N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine has a molecular weight of 394.52 g/mol, XLogP of 6.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 150101041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).