1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine

C30H32N2O2 — CID 70842745

IUPAC1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine
SMILESCCN(c1ccccc1)c1ccc(N(Cc2cccc(OC)c2)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C30H32N2O2/c1-4-32(27-12-6-5-7-13-27)28-18-16-26(17-19-28)31(22-24-10-8-14-29(20-24)33-2)23-25-11-9-15-30(21-25)34-3/h5-21H,4,22-23H2,1-3H3
InChIKeyNSQRKUYZZLUWEN-UHFFFAOYSA-N
MW452.60 g/mol
LogP7.07
Rot. Bonds10

About 1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine

1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine (PubChem CID 70842745) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine
PubChem CID70842745
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC Name1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine
SMILESCCN(c1ccccc1)c1ccc(N(Cc2cccc(OC)c2)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C30H32N2O2/c1-4-32(27-12-6-5-7-13-27)28-18-16-26(17-19-28)31(22-24-10-8-14-29(20-24)33-2)23-25-11-9-15-30(21-25)34-3/h5-21H,4,22-23H2,1-3H3
InChIKeyNSQRKUYZZLUWEN-UHFFFAOYSA-N
XLogP7.07
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 167466346
2-[4-chloro-N-[(3-methoxyphenyl)methyl]anilino]acetic acid
CID 39436802
3-[[4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]anilino]methyl]-N,N-dimethylaniline
CID 167466319
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652871
N-benzyl-2-bromo-N-[(3-methoxyphenyl)methyl]ethanamine
CID 80679001
2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
4-[(dimethylamino)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 167465619

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine (CID 70842745) is 1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine is CCN(c1ccccc1)c1ccc(N(Cc2cccc(OC)c2)Cc2cccc(OC)c2)cc1.
What is the InChIKey of 1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine?
The InChIKey is NSQRKUYZZLUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2/c1-4-32(27-12-6-5-7-13-27)28-18-16-26(17-19-28)31(22-24-10-8-14-29(20-24)33-2)23-25-11-9-15-30(21-25)34-3/h5-21H,4,22-23H2,1-3H3.
What are the key properties of 1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine?
1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine has a molecular weight of 452.60 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 70842745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).