1-[3-(6-aminohexylamino)phenyl]ethanol

C14H24N2O — CID 83962976

IUPAC1-[3-(6-aminohexylamino)phenyl]ethanol
SMILESCC(O)c1cccc(NCCCCCCN)c1
InChIInChI=1S/C14H24N2O/c1-12(17)13-7-6-8-14(11-13)16-10-5-3-2-4-9-15/h6-8,11-12,16-17H,2-5,9-10,15H2,1H3
InChIKeyIGXUUWOZXNBMCW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.67
Rot. Bonds8

About 1-[3-(6-aminohexylamino)phenyl]ethanol

1-[3-(6-aminohexylamino)phenyl]ethanol (PubChem CID 83962976) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[3-(6-aminohexylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(6-aminohexylamino)phenyl]ethanol
PubChem CID83962976
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[3-(6-aminohexylamino)phenyl]ethanol
SMILESCC(O)c1cccc(NCCCCCCN)c1
InChIInChI=1S/C14H24N2O/c1-12(17)13-7-6-8-14(11-13)16-10-5-3-2-4-9-15/h6-8,11-12,16-17H,2-5,9-10,15H2,1H3
InChIKeyIGXUUWOZXNBMCW-UHFFFAOYSA-N
XLogP2.67
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.67
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

1-[3-(2-methoxyethylamino)phenyl]ethanol
CID 83962984
1-[3-(2-aminopropylamino)phenyl]ethanol
CID 83962997
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
N'-phenylheptane-1,7-diamine
CID 61149618
N'-(4-propan-2-ylphenyl)hexane-1,6-diamine
CID 83952205
1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
CID 83962994
2-[3-(4-aminobutylamino)phenyl]ethanol
CID 83963103
1-[3-(tert-butylamino)phenyl]ethanol
CID 12585902
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672
2-(3-propan-2-ylanilino)ethanol
CID 28973580
3-(4-aminobutylamino)benzonitrile
CID 94253346
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-aminohexylamino)phenyl]ethanol?
The IUPAC name of 1-[3-(6-aminohexylamino)phenyl]ethanol (CID 83962976) is 1-[3-(6-aminohexylamino)phenyl]ethanol.
What is the SMILES notation for 1-[3-(6-aminohexylamino)phenyl]ethanol?
The canonical SMILES for 1-[3-(6-aminohexylamino)phenyl]ethanol is CC(O)c1cccc(NCCCCCCN)c1.
What is the InChIKey of 1-[3-(6-aminohexylamino)phenyl]ethanol?
The InChIKey is IGXUUWOZXNBMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(17)13-7-6-8-14(11-13)16-10-5-3-2-4-9-15/h6-8,11-12,16-17H,2-5,9-10,15H2,1H3.
What are the key properties of 1-[3-(6-aminohexylamino)phenyl]ethanol?
1-[3-(6-aminohexylamino)phenyl]ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-aminohexylamino)phenyl]ethanol is sourced from PubChem (CID 83962976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).