5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide

C24H32Br2N2O2 — CID 67929141

IUPAC5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide
SMILESBr.Br.Oc1cc2cccc(NCCCCCCNCCc3ccccc3)c2cc1O
InChIInChI=1S/C24H30N2O2.2BrH/c27-23-17-20-11-8-12-22(21(20)18-24(23)28)26-15-7-2-1-6-14-25-16-13-19-9-4-3-5-10-19;;/h3-5,8-12,17-18,25-28H,1-2,6-7,13-16H2;2*1H
InChIKeyVJAPVEHSCHYMRU-UHFFFAOYSA-N
MW540.34 g/mol
LogP6.21
Rot. Bonds11

About 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide

5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide (PubChem CID 67929141) has the molecular formula C24H32Br2N2O2 and a molecular weight of 540.34 g/mol. Its IUPAC name is 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide.

Molecular Properties

Compound Name5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide
PubChem CID67929141
Molecular FormulaC24H32Br2N2O2
Molecular Weight540.34 g/mol
Exact Mass538.08
IUPAC Name5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide
SMILESBr.Br.Oc1cc2cccc(NCCCCCCNCCc3ccccc3)c2cc1O
InChIInChI=1S/C24H30N2O2.2BrH/c27-23-17-20-11-8-12-22(21(20)18-24(23)28)26-15-7-2-1-6-14-25-16-13-19-9-4-3-5-10-19;;/h3-5,8-12,17-18,25-28H,1-2,6-7,13-16H2;2*1H
InChIKeyVJAPVEHSCHYMRU-UHFFFAOYSA-N
XLogP6.21
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.34
LogP ≤ 56.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide 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

5-[6-(2-phenylethylamino)hexylamino]naphthalene-1,2-diol
CID 70042098
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
2-[6-(2-phenylethylamino)hexylamino]ethanol
CID 22104030
N-(2-phenylethyl)undecan-1-amine
CID 141108004
3-[2-[6-[2-(4-chlorophenyl)ethylamino]hexylamino]ethyl]phenol;hydrobromide
CID 44522479
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
N-icosylnaphthalen-1-amine
CID 53260207
N-nonylnaphthalen-1-amine
CID 63488249
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
4-[2-[3-[2-(2-phenylethylamino)ethoxy]propylamino]ethyl]benzene-1,2-diol
CID 19860198

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide?
The IUPAC name of 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide (CID 67929141) is 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide.
What is the SMILES notation for 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide?
The canonical SMILES for 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide is Br.Br.Oc1cc2cccc(NCCCCCCNCCc3ccccc3)c2cc1O.
What is the InChIKey of 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide?
The InChIKey is VJAPVEHSCHYMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2.2BrH/c27-23-17-20-11-8-12-22(21(20)18-24(23)28)26-15-7-2-1-6-14-25-16-13-19-9-4-3-5-10-19;;/h3-5,8-12,17-18,25-28H,1-2,6-7,13-16H2;2*1H.
What are the key properties of 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide?
5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide has a molecular weight of 540.34 g/mol, XLogP of 6.21, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-phenylethylamino)hexylamino]naphthalene-2,3-diol;dihydrobromide is sourced from PubChem (CID 67929141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).