4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol

C25H34N2O2 — CID 136694434

IUPAC4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol
SMILESCCC(C)c1ccc(O)c(/C=N/C[C@H](C)/N=C/c2cc(C(C)CC)ccc2O)c1
InChIInChI=1S/C25H34N2O2/c1-6-17(3)20-8-10-24(28)22(12-20)15-26-14-19(5)27-16-23-13-21(18(4)7-2)9-11-25(23)29/h8-13,15-19,28-29H,6-7,14H2,1-5H3/b26-15+,27-16+/t17?,18?,19-/m0/s1
InChIKeyJBSJSIUFJVQXTL-OXGYENAOSA-N
MW394.56 g/mol
LogP6.05
Rot. Bonds9

About 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol

4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol (PubChem CID 136694434) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol
PubChem CID136694434
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol
SMILESCCC(C)c1ccc(O)c(/C=N/C[C@H](C)/N=C/c2cc(C(C)CC)ccc2O)c1
InChIInChI=1S/C25H34N2O2/c1-6-17(3)20-8-10-24(28)22(12-20)15-26-14-19(5)27-16-23-13-21(18(4)7-2)9-11-25(23)29/h8-13,15-19,28-29H,6-7,14H2,1-5H3/b26-15+,27-16+/t17?,18?,19-/m0/s1
InChIKeyJBSJSIUFJVQXTL-OXGYENAOSA-N
XLogP6.05
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]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-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 137028699
4-methyl-2-(2-methylpropyliminomethyl)phenol
CID 137081828
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
4-butan-2-yl-2-hydroxybenzaldehyde
CID 10236044
1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine
CID 2835360
2-[3-[2-[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-4-propan-2-ylphenol
CID 135587662
2-[[4-[(2R)-butan-2-yl]phenyl]iminomethyl]-4-nitrophenol
CID 137043484
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
cobalt(3+);1-[(2-hydroxyphenyl)methylideneamino]propan-2-ylazanide;2-[(2-hydroxyphenyl)methylideneamino]propylazanide
CID 5255651
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137160061
2,4-di(butan-2-yl)-6-[3-[[3,5-di(butan-2-yl)-2-hydroxyphenyl]methylideneamino]propyliminomethyl]phenol
CID 137119188

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol?
The IUPAC name of 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol (CID 136694434) is 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol.
What is the SMILES notation for 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol?
The canonical SMILES for 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol is CCC(C)c1ccc(O)c(/C=N/C[C@H](C)/N=C/c2cc(C(C)CC)ccc2O)c1.
What is the InChIKey of 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol?
The InChIKey is JBSJSIUFJVQXTL-OXGYENAOSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-6-17(3)20-8-10-24(28)22(12-20)15-26-14-19(5)27-16-23-13-21(18(4)7-2)9-11-25(23)29/h8-13,15-19,28-29H,6-7,14H2,1-5H3/b26-15+,27-16+/t17?,18?,19-/m0/s1.
What are the key properties of 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol?
4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol has a molecular weight of 394.56 g/mol, XLogP of 6.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol is sourced from PubChem (CID 136694434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).