2-[3-(4-aminobutylamino)phenyl]ethanol

C12H20N2O — CID 83963103

IUPAC2-[3-(4-aminobutylamino)phenyl]ethanol
SMILESNCCCCNc1cccc(CCO)c1
InChIInChI=1S/C12H20N2O/c13-7-1-2-8-14-12-5-3-4-11(10-12)6-9-15/h3-5,10,14-15H,1-2,6-9,13H2
InChIKeyHTTHVZMASGCXMA-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.37
Rot. Bonds7

About 2-[3-(4-aminobutylamino)phenyl]ethanol

2-[3-(4-aminobutylamino)phenyl]ethanol (PubChem CID 83963103) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[3-(4-aminobutylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(4-aminobutylamino)phenyl]ethanol
PubChem CID83963103
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[3-(4-aminobutylamino)phenyl]ethanol
SMILESNCCCCNc1cccc(CCO)c1
InChIInChI=1S/C12H20N2O/c13-7-1-2-8-14-12-5-3-4-11(10-12)6-9-15/h3-5,10,14-15H,1-2,6-9,13H2
InChIKeyHTTHVZMASGCXMA-UHFFFAOYSA-N
XLogP1.37
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.37
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

2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol
CID 71173377
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
4-[3-(hydroxymethyl)anilino]butane-1-sulfonic acid
CID 175277279
[4-(4-aminobutylamino)phenyl]methanol
CID 83962271
N'-phenylheptane-1,7-diamine
CID 61149618
1-[3-(2-hydroxyethyl)anilino]propan-2-one
CID 174381535
3-(4-aminobutylamino)benzonitrile
CID 94253346
1-[3-(6-aminohexylamino)phenyl]ethanol
CID 83962976
3-[3-(3-aminopropylamino)phenoxy]propan-1-ol
CID 117097601
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
N'-(3,4-difluorophenyl)butane-1,4-diamine
CID 83953114

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminobutylamino)phenyl]ethanol?
The IUPAC name of 2-[3-(4-aminobutylamino)phenyl]ethanol (CID 83963103) is 2-[3-(4-aminobutylamino)phenyl]ethanol.
What is the SMILES notation for 2-[3-(4-aminobutylamino)phenyl]ethanol?
The canonical SMILES for 2-[3-(4-aminobutylamino)phenyl]ethanol is NCCCCNc1cccc(CCO)c1.
What is the InChIKey of 2-[3-(4-aminobutylamino)phenyl]ethanol?
The InChIKey is HTTHVZMASGCXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-7-1-2-8-14-12-5-3-4-11(10-12)6-9-15/h3-5,10,14-15H,1-2,6-9,13H2.
What are the key properties of 2-[3-(4-aminobutylamino)phenyl]ethanol?
2-[3-(4-aminobutylamino)phenyl]ethanol has a molecular weight of 208.31 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminobutylamino)phenyl]ethanol is sourced from PubChem (CID 83963103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).