4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine

C25H30N2O2 — CID 100979538

IUPAC4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine
SMILESNc1ccc(OCCCCCCOCc2ccc(-c3ccccc3)cc2)c(N)c1
InChIInChI=1S/C25H30N2O2/c26-23-14-15-25(24(27)18-23)29-17-7-2-1-6-16-28-19-20-10-12-22(13-11-20)21-8-4-3-5-9-21/h3-5,8-15,18H,1-2,6-7,16-17,19,26-27H2
InChIKeyBFPKPNSVSOLLLM-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.67
Rot. Bonds11

About 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine

4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine (PubChem CID 100979538) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine
PubChem CID100979538
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine
SMILESNc1ccc(OCCCCCCOCc2ccc(-c3ccccc3)cc2)c(N)c1
InChIInChI=1S/C25H30N2O2/c26-23-14-15-25(24(27)18-23)29-17-7-2-1-6-16-28-19-20-10-12-22(13-11-20)21-8-4-3-5-9-21/h3-5,8-15,18H,1-2,6-7,16-17,19,26-27H2
InChIKeyBFPKPNSVSOLLLM-UHFFFAOYSA-N
XLogP5.67
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine 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

6-[(4-phenylphenyl)methoxy]hexan-1-amine
CID 22237387
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine
CID 159131226
2-butoxy-5-phenylaniline
CID 54853554
4-(4-phenylbutoxymethyl)aniline
CID 114332885
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
6-[(4-phenylphenyl)methoxy]hexan-2-one
CID 67703506
4-propoxybenzene-1,3-diamine
CID 69462115
4-[(3,5-didodecoxyphenyl)methoxy]benzene-1,3-diamine
CID 58788083

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine?
The IUPAC name of 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine (CID 100979538) is 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine.
What is the SMILES notation for 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine?
The canonical SMILES for 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine is Nc1ccc(OCCCCCCOCc2ccc(-c3ccccc3)cc2)c(N)c1.
What is the InChIKey of 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine?
The InChIKey is BFPKPNSVSOLLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c26-23-14-15-25(24(27)18-23)29-17-7-2-1-6-16-28-19-20-10-12-22(13-11-20)21-8-4-3-5-9-21/h3-5,8-15,18H,1-2,6-7,16-17,19,26-27H2.
What are the key properties of 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine?
4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine has a molecular weight of 390.53 g/mol, XLogP of 5.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-phenylphenyl)methoxy]hexoxy]benzene-1,3-diamine is sourced from PubChem (CID 100979538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).