4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine

C15H25N3O — CID 131740920

IUPAC4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine
SMILESCC(C)N=C=NC(C)C.NCCc1ccc(O)cc1
InChIInChI=1S/C8H11NO.C7H14N2/c9-6-5-7-1-3-8(10)4-2-7;1-6(2)8-5-9-7(3)4/h1-4,10H,5-6,9H2;6-7H,1-4H3
InChIKeyHAJGAHMPFUGFLQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds4

About 4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine

4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine (PubChem CID 131740920) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine.

Molecular Properties

Compound Name4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine
PubChem CID131740920
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine
SMILESCC(C)N=C=NC(C)C.NCCc1ccc(O)cc1
InChIInChI=1S/C8H11NO.C7H14N2/c9-6-5-7-1-3-8(10)4-2-7;1-6(2)8-5-9-7(3)4/h1-4,10H,5-6,9H2;6-7H,1-4H3
InChIKeyHAJGAHMPFUGFLQ-UHFFFAOYSA-N
XLogP2.87
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)phenol;phosphoric acid
CID 3029836
4-(2-aminoethyl)phenol phosphate
CID 6366959
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CID 70105450
4-(3-aminopropyl)phenol
CID 4574248
4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 67313836
4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine
CID 70275717
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
5-(4-hydroxyphenyl)-3-methylpentanenitrile
CID 14742686
4-(3,5-dimethyloctyl)phenol
CID 174906830
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
4-[3-(aminomethyl)-4,4-difluoro-3-methylbutyl]phenol
CID 84726135

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine?
The IUPAC name of 4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine (CID 131740920) is 4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine.
What is the SMILES notation for 4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine?
The canonical SMILES for 4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine is CC(C)N=C=NC(C)C.NCCc1ccc(O)cc1.
What is the InChIKey of 4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine?
The InChIKey is HAJGAHMPFUGFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C7H14N2/c9-6-5-7-1-3-8(10)4-2-7;1-6(2)8-5-9-7(3)4/h1-4,10H,5-6,9H2;6-7H,1-4H3.
What are the key properties of 4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine?
4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine has a molecular weight of 263.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine is sourced from PubChem (CID 131740920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).