4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol

C30H38N2O2 — CID 100918693

IUPAC4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol
SMILESNCCNCCCCCCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C30H38N2O2/c31-21-23-32-22-9-4-2-1-3-8-12-29(24-10-6-5-7-11-24)30(25-13-17-27(33)18-14-25)26-15-19-28(34)20-16-26/h5-7,10-11,13-20,32-34H,1-4,8-9,12,21-23,31H2
InChIKeyHENJTOQVYNGOFC-UHFFFAOYSA-N
MW458.65 g/mol
LogP6.34
Rot. Bonds14

About 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol

4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol (PubChem CID 100918693) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol.

Molecular Properties

Compound Name4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol
PubChem CID100918693
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC Name4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol
SMILESNCCNCCCCCCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C30H38N2O2/c31-21-23-32-22-9-4-2-1-3-8-12-29(24-10-6-5-7-11-24)30(25-13-17-27(33)18-14-25)26-15-19-28(34)20-16-26/h5-7,10-11,13-20,32-34H,1-4,8-9,12,21-23,31H2
InChIKeyHENJTOQVYNGOFC-UHFFFAOYSA-N
XLogP6.34
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 56.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol 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-[14-(2-aminoethylamino)-1,1-bis(4-hydroxyphenyl)tetradec-1-en-2-yl]phenol
CID 100918696
4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol
CID 118887290
4-[1-[4-(2-aminoethoxy)phenyl]-4-chloro-1-phenylbut-1-en-2-yl]phenol
CID 165015784
4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol
CID 138493046
4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile
CID 129137301
4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride
CID 162672342
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide
CID 101205073
4-[1-[4-(1,1-dimethylazetidin-1-ium-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 176732433

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol?
The IUPAC name of 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol (CID 100918693) is 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol.
What is the SMILES notation for 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol?
The canonical SMILES for 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol is NCCNCCCCCCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol?
The InChIKey is HENJTOQVYNGOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2/c31-21-23-32-22-9-4-2-1-3-8-12-29(24-10-6-5-7-11-24)30(25-13-17-27(33)18-14-25)26-15-19-28(34)20-16-26/h5-7,10-11,13-20,32-34H,1-4,8-9,12,21-23,31H2.
What are the key properties of 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol?
4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol has a molecular weight of 458.65 g/mol, XLogP of 6.34, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol is sourced from PubChem (CID 100918693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).