2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol

C22H30N2O2 — CID 136749777

IUPAC2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol
SMILESCCCCCCC(NCC/N=C/c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H30N2O2/c1-2-3-4-5-12-20(19-11-7-9-14-22(19)26)24-16-15-23-17-18-10-6-8-13-21(18)25/h6-11,13-14,17,20,24-26H,2-5,12,15-16H2,1H3/b23-17+
InChIKeyCVWLMSBHAYKHQA-HAVVHWLPSA-N
MW354.49 g/mol
LogP4.82
Rot. Bonds11

About 2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol

2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol (PubChem CID 136749777) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol
PubChem CID136749777
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol
SMILESCCCCCCC(NCC/N=C/c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H30N2O2/c1-2-3-4-5-12-20(19-11-7-9-14-22(19)26)24-16-15-23-17-18-10-6-8-13-21(18)25/h6-11,13-14,17,20,24-26H,2-5,12,15-16H2,1H3/b23-17+
InChIKeyCVWLMSBHAYKHQA-HAVVHWLPSA-N
XLogP4.82
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydrazinylheptyl)phenol
CID 155127911
2-pentadecan-6-ylphenol
CID 66865451
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
2-[(pentylhydrazinylidene)methyl]phenol
CID 173213251
N-pentyl-1-phenyldecan-1-amine
CID 10380274
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol?
The IUPAC name of 2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol (CID 136749777) is 2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol.
What is the SMILES notation for 2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol?
The canonical SMILES for 2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol is CCCCCCC(NCC/N=C/c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol?
The InChIKey is CVWLMSBHAYKHQA-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-3-4-5-12-20(19-11-7-9-14-22(19)26)24-16-15-23-17-18-10-6-8-13-21(18)25/h6-11,13-14,17,20,24-26H,2-5,12,15-16H2,1H3/b23-17+.
What are the key properties of 2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol?
2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol has a molecular weight of 354.49 g/mol, XLogP of 4.82, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol is sourced from PubChem (CID 136749777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).