1-(4-amino-2-chlorophenyl)octan-1-ol

C14H22ClNO — CID 112736197

IUPAC1-(4-amino-2-chlorophenyl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-2-3-4-5-6-7-14(17)12-9-8-11(16)10-13(12)15/h8-10,14,17H,2-7,16H2,1H3
InChIKeyMJUDDONVJCSYDG-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.32
Rot. Bonds7

About 1-(4-amino-2-chlorophenyl)octan-1-ol

1-(4-amino-2-chlorophenyl)octan-1-ol (PubChem CID 112736197) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)octan-1-ol.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)octan-1-ol
PubChem CID112736197
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(4-amino-2-chlorophenyl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-2-3-4-5-6-7-14(17)12-9-8-11(16)10-13(12)15/h8-10,14,17H,2-7,16H2,1H3
InChIKeyMJUDDONVJCSYDG-UHFFFAOYSA-N
XLogP4.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.32
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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Related Compounds

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1-(4-chloro-3-methylphenyl)nonan-1-ol
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1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
1-(2,4-dichlorophenyl)heptylhydrazine
CID 105293920
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
4-amino-1-(4-amino-2-chlorophenyl)butane-1,2-diol
CID 171880949

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)octan-1-ol?
The IUPAC name of 1-(4-amino-2-chlorophenyl)octan-1-ol (CID 112736197) is 1-(4-amino-2-chlorophenyl)octan-1-ol.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)octan-1-ol?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)octan-1-ol is CCCCCCCC(O)c1ccc(N)cc1Cl.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)octan-1-ol?
The InChIKey is MJUDDONVJCSYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-2-3-4-5-6-7-14(17)12-9-8-11(16)10-13(12)15/h8-10,14,17H,2-7,16H2,1H3.
What are the key properties of 1-(4-amino-2-chlorophenyl)octan-1-ol?
1-(4-amino-2-chlorophenyl)octan-1-ol has a molecular weight of 255.79 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorophenyl)octan-1-ol is sourced from PubChem (CID 112736197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).