[4-(4-aminobutyl)phenyl]methanol

C11H17NO — CID 11550093

IUPAC[4-(4-aminobutyl)phenyl]methanol
SMILESNCCCCc1ccc(CO)cc1
InChIInChI=1S/C11H17NO/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h4-7,13H,1-3,8-9,12H2
InChIKeyPELYVBRUCDALKN-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.46
Rot. Bonds5

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

[4-(4-aminobutyl)phenyl]methanol (PubChem CID 11550093) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [4-(4-aminobutyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-aminobutyl)phenyl]methanol
PubChem CID11550093
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[4-(4-aminobutyl)phenyl]methanol
SMILESNCCCCc1ccc(CO)cc1
InChIInChI=1S/C11H17NO/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h4-7,13H,1-3,8-9,12H2
InChIKeyPELYVBRUCDALKN-UHFFFAOYSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
6-(4-propylphenyl)hexan-1-amine
CID 65300510
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
10-(4-bromophenyl)decan-1-amine
CID 70564089
4-(3-aminopropyl)phenol
CID 4574248
13-phenyltridecan-1-amine
CID 19801439
4-phenylbutan-1-amine;hydrochloride
CID 44630065
1-[4-(4-aminobutyl)phenyl]-2-methylpropan-2-ol
CID 117115615
4-(4-aminobutyl)benzenesulfonic acid;hydrochloride
CID 175392230
4-(9-aminononyl)benzenesulfonic acid
CID 57192247
1-[2-[4-(4-aminobutyl)phenyl]ethyl]cyclopropan-1-ol
CID 117115632

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobutyl)phenyl]methanol?
The IUPAC name of [4-(4-aminobutyl)phenyl]methanol (CID 11550093) is [4-(4-aminobutyl)phenyl]methanol.
What is the SMILES notation for [4-(4-aminobutyl)phenyl]methanol?
The canonical SMILES for [4-(4-aminobutyl)phenyl]methanol is NCCCCc1ccc(CO)cc1.
What is the InChIKey of [4-(4-aminobutyl)phenyl]methanol?
The InChIKey is PELYVBRUCDALKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h4-7,13H,1-3,8-9,12H2.
What are the key properties of [4-(4-aminobutyl)phenyl]methanol?
[4-(4-aminobutyl)phenyl]methanol has a molecular weight of 179.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobutyl)phenyl]methanol is sourced from PubChem (CID 11550093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).