[4-(4-aminobutylamino)phenyl]methanol

C11H18N2O — CID 83962271

IUPAC[4-(4-aminobutylamino)phenyl]methanol
SMILESNCCCCNc1ccc(CO)cc1
InChIInChI=1S/C11H18N2O/c12-7-1-2-8-13-11-5-3-10(9-14)4-6-11/h3-6,13-14H,1-2,7-9,12H2
InChIKeyXBEOUDLNJDHDQT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.33
Rot. Bonds6

About [4-(4-aminobutylamino)phenyl]methanol

[4-(4-aminobutylamino)phenyl]methanol (PubChem CID 83962271) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [4-(4-aminobutylamino)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-aminobutylamino)phenyl]methanol
PubChem CID83962271
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[4-(4-aminobutylamino)phenyl]methanol
SMILESNCCCCNc1ccc(CO)cc1
InChIInChI=1S/C11H18N2O/c12-7-1-2-8-13-11-5-3-10(9-14)4-6-11/h3-6,13-14H,1-2,7-9,12H2
InChIKeyXBEOUDLNJDHDQT-UHFFFAOYSA-N
XLogP1.33
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.33
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

4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
4-(4-aminobutylamino)benzamide
CID 117097342
[4-(propylamino)phenyl]methanol
CID 82668177
N'-phenylheptane-1,7-diamine
CID 61149618
N'-[4-(diethylaminomethyl)phenyl]hexane-1,6-diamine
CID 83961023
N'-[4-(pyrrolidin-1-ylmethyl)phenyl]hexane-1,6-diamine
CID 83961000
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537
N'-(3,4-difluorophenyl)butane-1,4-diamine
CID 83953114
N'-(4-propan-2-ylphenyl)hexane-1,6-diamine
CID 83952205
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
2-[3-(4-aminobutylamino)phenyl]ethanol
CID 83963103
5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
CID 83962274

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobutylamino)phenyl]methanol?
The IUPAC name of [4-(4-aminobutylamino)phenyl]methanol (CID 83962271) is [4-(4-aminobutylamino)phenyl]methanol.
What is the SMILES notation for [4-(4-aminobutylamino)phenyl]methanol?
The canonical SMILES for [4-(4-aminobutylamino)phenyl]methanol is NCCCCNc1ccc(CO)cc1.
What is the InChIKey of [4-(4-aminobutylamino)phenyl]methanol?
The InChIKey is XBEOUDLNJDHDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-7-1-2-8-13-11-5-3-10(9-14)4-6-11/h3-6,13-14H,1-2,7-9,12H2.
What are the key properties of [4-(4-aminobutylamino)phenyl]methanol?
[4-(4-aminobutylamino)phenyl]methanol has a molecular weight of 194.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobutylamino)phenyl]methanol is sourced from PubChem (CID 83962271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).