2-(1,6-diaminohexyl)phenol

C12H20N2O — CID 19366084

IUPAC2-(1,6-diaminohexyl)phenol
SMILESNCCCCCC(N)c1ccccc1O
InChIInChI=1S/C12H20N2O/c13-9-5-1-2-7-11(14)10-6-3-4-8-12(10)15/h3-4,6,8,11,15H,1-2,5,7,9,13-14H2
InChIKeyBNXCDFTVDHKAOF-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.91
Rot. Bonds6

About 2-(1,6-diaminohexyl)phenol

2-(1,6-diaminohexyl)phenol (PubChem CID 19366084) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(1,6-diaminohexyl)phenol.

Molecular Properties

Compound Name2-(1,6-diaminohexyl)phenol
PubChem CID19366084
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-(1,6-diaminohexyl)phenol
SMILESNCCCCCC(N)c1ccccc1O
InChIInChI=1S/C12H20N2O/c13-9-5-1-2-7-11(14)10-6-3-4-8-12(10)15/h3-4,6,8,11,15H,1-2,5,7,9,13-14H2
InChIKeyBNXCDFTVDHKAOF-UHFFFAOYSA-N
XLogP1.91
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1,3-diaminopropyl]phenol
CID 130872287
2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol
CID 171201118
2-[(1R)-1,5-diaminopentyl]-4-methylphenol;hydrochloride
CID 171202303
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
2-[(1S)-1,5-diaminopentyl]-4-methoxyphenol
CID 171222237
(1R)-1-(2-iodophenyl)butane-1,4-diamine
CID 171210506
2-[(1R)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171200975
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
2-(1-amino-2-fluoroethyl)phenol
CID 83815442
2-[1,13,13-tris(2-hydroxyphenyl)tridecyl]phenol
CID 19886957
2-[(1S)-1,5-diaminopentyl]-4-nitrophenol;hydrochloride
CID 171217251
(1S)-1-[2-(trifluoromethylsulfanyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171231380

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-diaminohexyl)phenol?
The IUPAC name of 2-(1,6-diaminohexyl)phenol (CID 19366084) is 2-(1,6-diaminohexyl)phenol.
What is the SMILES notation for 2-(1,6-diaminohexyl)phenol?
The canonical SMILES for 2-(1,6-diaminohexyl)phenol is NCCCCCC(N)c1ccccc1O.
What is the InChIKey of 2-(1,6-diaminohexyl)phenol?
The InChIKey is BNXCDFTVDHKAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-9-5-1-2-7-11(14)10-6-3-4-8-12(10)15/h3-4,6,8,11,15H,1-2,5,7,9,13-14H2.
What are the key properties of 2-(1,6-diaminohexyl)phenol?
2-(1,6-diaminohexyl)phenol has a molecular weight of 208.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-diaminohexyl)phenol is sourced from PubChem (CID 19366084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).