4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline

C20H20N2O — CID 102249306

IUPAC4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline
SMILESCOC(c1ccccc1)(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C20H20N2O/c1-23-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14H,21-22H2,1H3
InChIKeyQQDKCQYKPPLNOI-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.79
Rot. Bonds4

About 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline

4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline (PubChem CID 102249306) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline
PubChem CID102249306
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline
SMILESCOC(c1ccccc1)(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C20H20N2O/c1-23-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14H,21-22H2,1H3
InChIKeyQQDKCQYKPPLNOI-UHFFFAOYSA-N
XLogP3.79
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methoxy(diphenyl)methyl]benzohydrazide
CID 70009539
benzene;4-tert-butylaniline
CID 175140068
3-[methoxy(diphenyl)methyl]thiophene
CID 21049807
1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol
CID 22890028
2-[methoxy-bis(4-methoxyphenyl)methyl]aniline
CID 54093223
4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline
CID 176584730
aniline;ethane;methoxyphosphane
CID 90767578
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
4-(2-phenylmethoxypropan-2-yl)aniline
CID 122627268
(2S)-2-(4-aminophenyl)-2-chloro-2-phenylacetonitrile
CID 97304016
4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline
CID 23349378
aniline;methylphosphane
CID 142605603

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline?
The IUPAC name of 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline (CID 102249306) is 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline is COC(c1ccccc1)(c1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline?
The InChIKey is QQDKCQYKPPLNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-23-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14H,21-22H2,1H3.
What are the key properties of 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline?
4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline has a molecular weight of 304.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline is sourced from PubChem (CID 102249306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).