3,4-bis(2-aminoethyl)-2-nonylphenol

C19H34N2O — CID 160520570

IUPAC3,4-bis(2-aminoethyl)-2-nonylphenol
SMILESCCCCCCCCCc1c(O)ccc(CCN)c1CCN
InChIInChI=1S/C19H34N2O/c1-2-3-4-5-6-7-8-9-18-17(13-15-21)16(12-14-20)10-11-19(18)22/h10-11,22H,2-9,12-15,20-21H2,1H3
InChIKeyQUFGLTCTNOBFDM-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.69
Rot. Bonds12

About 3,4-bis(2-aminoethyl)-2-nonylphenol

3,4-bis(2-aminoethyl)-2-nonylphenol (PubChem CID 160520570) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 3,4-bis(2-aminoethyl)-2-nonylphenol.

Molecular Properties

Compound Name3,4-bis(2-aminoethyl)-2-nonylphenol
PubChem CID160520570
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name3,4-bis(2-aminoethyl)-2-nonylphenol
SMILESCCCCCCCCCc1c(O)ccc(CCN)c1CCN
InChIInChI=1S/C19H34N2O/c1-2-3-4-5-6-7-8-9-18-17(13-15-21)16(12-14-20)10-11-19(18)22/h10-11,22H,2-9,12-15,20-21H2,1H3
InChIKeyQUFGLTCTNOBFDM-UHFFFAOYSA-N
XLogP3.69
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-diheptyl-2-hexylphenol
CID 66866250
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride
CID 175333196
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
4-ethyl-3-hexyl-2-octylphenol
CID 66866506
2-pentyl-3,4-dipropylphenol
CID 66866454
2,3-dihexylbenzene-1,4-diol
CID 69329716
2-[[6-hydroxy-2,3-di(nonyl)phenyl]methyl]-3,4-di(nonyl)phenol
CID 70404380
2-dodecyl-4-ethyl-3-propylphenol
CID 66867159
3-butyl-4-ethyl-2-pentylphenol
CID 66866292
(2,3-dihexyl-6-nonylphenyl)methanamine
CID 161402444

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-aminoethyl)-2-nonylphenol?
The IUPAC name of 3,4-bis(2-aminoethyl)-2-nonylphenol (CID 160520570) is 3,4-bis(2-aminoethyl)-2-nonylphenol.
What is the SMILES notation for 3,4-bis(2-aminoethyl)-2-nonylphenol?
The canonical SMILES for 3,4-bis(2-aminoethyl)-2-nonylphenol is CCCCCCCCCc1c(O)ccc(CCN)c1CCN.
What is the InChIKey of 3,4-bis(2-aminoethyl)-2-nonylphenol?
The InChIKey is QUFGLTCTNOBFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-2-3-4-5-6-7-8-9-18-17(13-15-21)16(12-14-20)10-11-19(18)22/h10-11,22H,2-9,12-15,20-21H2,1H3.
What are the key properties of 3,4-bis(2-aminoethyl)-2-nonylphenol?
3,4-bis(2-aminoethyl)-2-nonylphenol has a molecular weight of 306.49 g/mol, XLogP of 3.69, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-aminoethyl)-2-nonylphenol is sourced from PubChem (CID 160520570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).