3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine

C24H21N3O2 — CID 139931817

IUPAC3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine
SMILESNc1cccc(Nc2cccc(N)c2Oc2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C24H21N3O2/c25-19-13-7-15-21(23(19)28-17-9-3-1-4-10-17)27-22-16-8-14-20(26)24(22)29-18-11-5-2-6-12-18/h1-16,27H,25-26H2
InChIKeyHVSJINIWBDTTET-UHFFFAOYSA-N
MW383.45 g/mol
LogP6.18
Rot. Bonds6

About 3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine

3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine (PubChem CID 139931817) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine
PubChem CID139931817
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine
SMILESNc1cccc(Nc2cccc(N)c2Oc2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C24H21N3O2/c25-19-13-7-15-21(23(19)28-17-9-3-1-4-10-17)27-22-16-8-14-20(26)24(22)29-18-11-5-2-6-12-18/h1-16,27H,25-26H2
InChIKeyHVSJINIWBDTTET-UHFFFAOYSA-N
XLogP6.18
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-3-phenylaniline
CID 68786698
3-[2-(3-amino-2-phenoxyphenyl)-3-phenoxyphenyl]-2-phenoxyaniline
CID 21260889
3-(3-aminophenyl)-2-phenoxyaniline
CID 68785952
1-N-(2-chlorophenyl)naphthalene-1,5-diamine
CID 134490531
2-amino-1-phenoxyanthracene-9,10-dione
CID 2847914
[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 19828743
2-amino-6-anilinophenol
CID 23106882
2-methyl-3-phenoxyaniline;hydrochloride
CID 142758143
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
5-phenoxytriazine-4,6-diamine
CID 154264389
7-amino-8-phenoxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 86100953
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine (CID 139931817) is 3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine is Nc1cccc(Nc2cccc(N)c2Oc2ccccc2)c1Oc1ccccc1.
What is the InChIKey of 3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine?
The InChIKey is HVSJINIWBDTTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c25-19-13-7-15-21(23(19)28-17-9-3-1-4-10-17)27-22-16-8-14-20(26)24(22)29-18-11-5-2-6-12-18/h1-16,27H,25-26H2.
What are the key properties of 3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine?
3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine has a molecular weight of 383.45 g/mol, XLogP of 6.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine is sourced from PubChem (CID 139931817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).