2-(2-bromoanilino)octan-1-ol

C14H22BrNO — CID 61050635

IUPAC2-(2-bromoanilino)octan-1-ol
SMILESCCCCCCC(CO)Nc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-2-3-4-5-8-12(11-17)16-14-10-7-6-9-13(14)15/h6-7,9-10,12,16-17H,2-5,8,11H2,1H3
InChIKeyRGWPOYRRUNKSMY-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.19
Rot. Bonds8

About 2-(2-bromoanilino)octan-1-ol

2-(2-bromoanilino)octan-1-ol (PubChem CID 61050635) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(2-bromoanilino)octan-1-ol.

Molecular Properties

Compound Name2-(2-bromoanilino)octan-1-ol
PubChem CID61050635
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-(2-bromoanilino)octan-1-ol
SMILESCCCCCCC(CO)Nc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-2-3-4-5-8-12(11-17)16-14-10-7-6-9-13(14)15/h6-7,9-10,12,16-17H,2-5,8,11H2,1H3
InChIKeyRGWPOYRRUNKSMY-UHFFFAOYSA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.19
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

2-bromo-N-nonan-2-ylaniline
CID 43129843
(2S)-2-anilinooctan-1-ol
CID 135056963
2-(3-methylanilino)octan-1-ol
CID 61049186
2-N-(2-bromophenyl)pentane-1,2-diamine
CID 65385114
2-(2-methylanilino)pentan-1-ol
CID 61045510
2-bromo-5-chloro-N-undecan-6-ylaniline
CID 81264421
N-tridecan-6-ylaniline
CID 151143089
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519
N-undecan-3-ylaniline
CID 171755615
2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
CID 62497133
2-(ethylamino)nonan-1-ol
CID 61050713
2-(methylamino)hexadecan-1-ol
CID 118696061

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)octan-1-ol?
The IUPAC name of 2-(2-bromoanilino)octan-1-ol (CID 61050635) is 2-(2-bromoanilino)octan-1-ol.
What is the SMILES notation for 2-(2-bromoanilino)octan-1-ol?
The canonical SMILES for 2-(2-bromoanilino)octan-1-ol is CCCCCCC(CO)Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)octan-1-ol?
The InChIKey is RGWPOYRRUNKSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-2-3-4-5-8-12(11-17)16-14-10-7-6-9-13(14)15/h6-7,9-10,12,16-17H,2-5,8,11H2,1H3.
What are the key properties of 2-(2-bromoanilino)octan-1-ol?
2-(2-bromoanilino)octan-1-ol has a molecular weight of 300.24 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)octan-1-ol is sourced from PubChem (CID 61050635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).