1-(4-aminophenyl)heptan-1-ol

C13H21NO — CID 11052823

IUPAC1-(4-aminophenyl)heptan-1-ol
SMILESCCCCCCC(O)c1ccc(N)cc1
InChIInChI=1S/C13H21NO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6,14H2,1H3
InChIKeyNUGOZEHHHSNELE-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.27
Rot. Bonds6

About 1-(4-aminophenyl)heptan-1-ol

1-(4-aminophenyl)heptan-1-ol (PubChem CID 11052823) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)heptan-1-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)heptan-1-ol
PubChem CID11052823
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-aminophenyl)heptan-1-ol
SMILESCCCCCCC(O)c1ccc(N)cc1
InChIInChI=1S/C13H21NO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6,14H2,1H3
InChIKeyNUGOZEHHHSNELE-UHFFFAOYSA-N
XLogP3.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)heptan-1-ol?
The IUPAC name of 1-(4-aminophenyl)heptan-1-ol (CID 11052823) is 1-(4-aminophenyl)heptan-1-ol.
What is the SMILES notation for 1-(4-aminophenyl)heptan-1-ol?
The canonical SMILES for 1-(4-aminophenyl)heptan-1-ol is CCCCCCC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)heptan-1-ol?
The InChIKey is NUGOZEHHHSNELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6,14H2,1H3.
What are the key properties of 1-(4-aminophenyl)heptan-1-ol?
1-(4-aminophenyl)heptan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)heptan-1-ol is sourced from PubChem (CID 11052823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).